SCHEMBL2611028

SCHEMBL2611028

COc1ncc(C(C)C)c(OC)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.39
PIK3CD O00329 1/20 0.39
ABL1 P00519 1/20 0.39
EGFR P00533 1/20 0.39
HCK P08631 1/20 0.39
SRC P12931 1/20 0.39
PIK3CB P42338 1/20 0.39
MTOR P42345 1/20 0.39
PIK3CG P48736 1/20 0.39
EPHB4 P54760 1/20 0.39
PRKDC P78527 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
QPCT Q16769 1/20 0.38
QPCTL Q9NXS2 1/20 0.38
CRHR1 P34998 1/20 0.38
ACACB O00763 2/20 0.36
CYP1A2 P05177 3/20 0.35
P2RX3 P56373 6/20 0.35
P2RX2 Q9UBL9 6/20 0.35
METAP2 P50579 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19355446 0.81 CRHR1 (0.43) PIK3CAPIK3CDABL1EGFRHCK
SCHEMBL12235181 0.79 P2RX3 (0.35) PIK3CAP2RX3P2RX2
SCHEMBL14416657 0.79 CYP1A2 (0.44) PIK3CAMTORCYP1A2P2RX3P2RX2
SCHEMBL10216223 0.79 P2RX3 (0.42) PIK3CAP2RX3P2RX2
SCHEMBL13510193 0.79 P2RX3 (0.38) CYP1A2P2RX3P2RX2HSP90AA1HSP90B1
SCHEMBL2611023 0.78 P2RX3 (0.51) P2RX3P2RX2
SCHEMBL28407976 0.76 P2RX3 (0.64) P2RX3P2RX2
SCHEMBL3816071 0.74 KMT2A (0.52) PIK3CAPIK3CDABL1EGFRHCK
SCHEMBL8888 0.74 QPCT (0.40) PIK3CAPIK3CDABL1EGFRHCK
SCHEMBL25165378 0.73 PDE4B (0.39) P2RX3P2RX2SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 77 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11236082-B2 EZH2 inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-02-01 US disclosed
US-20200338074-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-10-29 US disclosed
WO-2020157491-A1 G-A CROSSLINKING CYTOTOXIC AGENTS FEMTOGENIX LIMITED (GB) 2020-08-06 WO disclosed
US-20190192532-A1 COMBINATION THERAPY OF BROMODOMAIN INHIBITORS AND CHECKPOINT BLOCKADE PETER MACCALLUM CANCER INSTITUTE (AU) 2019-06-27 US disclosed
US-10308653-B2 Diazepane derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-06-04 US disclosed
US-10226434-B2 Design, synthesis and methods of use of acyclic fleximer nucleoside analogues having anti-coronavirus activity UNIVERSITY OF MARYLAND, BALTIMORE COUNTY (US) 2019-03-12 US disclosed
US-20180169097-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-21 US disclosed
US-20180153860-A1 METHODS OF DOSE ADMINISTRATION FOR TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES T3D THERAPEUTICS, INC. (US) 2018-06-07 US disclosed
US-20180153859-A1 METHODS OF TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES BASED ON APOE4 GENOTYPE T3D THERAPEUTICS, INC. (US) 2018-06-07 US disclosed
US-9951074-B2 Dihydropteridinone derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-24 US disclosed
US-20080242665-A1 1-(4-((2-(2-aminopyrimidin-5-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)piperazin-1-yl)-2-(methylsulfonyl)ethanone; lipid kinase inhibitor; anticarcinogenic agent; F. HOFFMANN-LA ROCHE AG (CH) 2008-10-02 US disclosed
WO-2008086188-A2 THIOPHENE CARBOXAMIDES AS FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-17 WO disclosed
US-20070225287-A1 Substituted Arylpyrazines YOON TAEYOUNG 2007-09-27 US disclosed
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-09-06 US disclosed
US-20070185092-A1 FACTOR Xa INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-09 US disclosed
US-7202250-B2 Substituted arylpyrazines NEUROGEN CORPORATION (US) 2007-04-10 US disclosed
US-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 US disclosed
US-4818277-A HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-04-04 US disclosed
EP-0035893-B1 HERBICIDAL BENZENE- AND PYRIDINE-SULFONAMIDE DERIVATIVES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-11-21 EP disclosed
EP-0035893-A2 Herbicidal benzene- and pyridine-sulfonamide derivatives E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-09-16 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070185092-A1 FACTOR Xa INHIBITORS TFPI, F12, F11 PIK3CA 736/4885PIK3CD 1472/4885ABL1 1707/4885
US-10226434-B2 Design, synthesis and methods of use of acyclic fleximer nucleoside analogues having anti-coronavirus activity RNGTT, ACE, ACE2 PIK3CA 1837/4885PIK3CD 1984/4885ABL1 3970/4885
US-10308653-B2 Diazepane derivatives and uses thereof BRDT, BRD4, BAZ2A PIK3CA 4321/4885PIK3CD 3409/4885ABL1 3150/4885
US-20180169097-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC PIK3CA 1180/4885PIK3CD 1684/4885ABL1 190/4885
US-20070225287-A1 Substituted Arylpyrazines CRHR1, CRHR2, CRH PIK3CA 4758/4885PIK3CD 4796/4885ABL1 897/4885
US-20180153859-A1 METHODS OF TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES BASED ON APOE4 GENOTYPE CHRNA2, ACACA, CHAT PIK3CA 3196/4885PIK3CD 4028/4885ABL1 4116/4885
US-20180153860-A1 METHODS OF DOSE ADMINISTRATION FOR TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES CHAT, ACHE, CHRNA2 PIK3CA 4285/4885PIK3CD 3829/4885ABL1 4455/4885
US-20190192532-A1 COMBINATION THERAPY OF BROMODOMAIN INHIBITORS AND CHECKPOINT BLOCKADE BRD4, BRD3, BRPF3 PIK3CA 3311/4885PIK3CD 3131/4885ABL1 859/4885
US-20080242665-A1 1-(4-((2-(2-aminopyrimidin-5-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)piperazin-1-yl)-2-(methylsulfonyl)ethanone; lipid kinase inhibitor; anticarcinogenic agent; PI4KA, DMPK, PDPK1 PIK3CA 9/4885PIK3CD 11/4885ABL1 950/4885
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR PIK3CA 2553/4885PIK3CD 3996/4885ABL1 3500/4885
US-11236082-B2 EZH2 inhibitors and uses thereof EZH2, EZH1, BMI1 PIK3CA 1845/4885PIK3CD 2769/4885ABL1 287/4885
US-20200338074-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC PIK3CA 1180/4885PIK3CD 1684/4885ABL1 190/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.