SCHEMBL2582337

SCHEMBL2582337

C#Cc1c(OC)cccc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
CA7 P43166 3/20 0.50
CA9 Q16790 3/20 0.50
CA12 O43570 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CA4 P22748 1/20 0.50
ALDH1A1 P00352 3/20 0.44
TP53 P04637 2/20 0.44
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL18297721 0.86 NPC1 (0.42) CA1CA2CA7CA9CA12
SCHEMBL3221579 0.85 CA1 (0.41) CA1CA2CA7CA9CA12
SCHEMBL20565891 0.85 MAPT (0.57) CA1CA2CA7CA9CA12
SCHEMBL15391492 0.85 NFE2L2 (0.43) CA1CA2CA7CA9CA12
SCHEMBL16954488 0.82 LMNA (0.39) CA1CA2CA7CA9CA12
SCHEMBL16957045 0.82 CA1 (0.38) CA1CA2CA7CA9CA12
SCHEMBL16954050 0.80 TLR2 (0.43) CA1CA2CA7CA9CA12
SCHEMBL16950358 0.76 CTSD (0.36) CA1CA2CA7CA9CA12
SCHEMBL374648 0.75 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL18245688 0.75 CA1 (0.50) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116396313-A Alkenyl borate, and preparation method and application thereof 中山大学 2023-07-07 CN claimed
CN-103951685-A New beta-diketone rare earth organic complex and its preparation method UNIV HUIZHOU 2014-07-30 CN claimed
EP-0998471-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME ADIR ET COMPAGNIE (FR) 2000-05-10 EP claimed
WO-1998052935-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME ADIR ET COMPAGNIE (FR) 1998-11-26 WO claimed
CN-116396313-A Alkenyl borate, and preparation method and application thereof 中山大学 2023-07-07 CN disclosed
CN-106661031-B Pyrrolopyrimidine compounds or its salt, pharmaceutical composition and application containing it 大鹏药品工业株式会社 2019-07-23 CN disclosed
US-20190010158-A1 ANTITUMOR EFFECT POTENTIATOR COMPRISING PYRROLOPYRIMIDINE COMPOUND TAIHO PHARMACETUICAL CO., LTD. (JP) 2019-01-10 US disclosed
US-10174040-B2 Pyrrolopyrimidine compound or salt thereof and compositions containing the pyrrolopyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2019-01-08 US disclosed
EP-3395345-A1 ANTITUMOR EFFECT POTENTIATOR COMPRISING PYRROLOPYRIMIDINE COMPOUND Taiho Pharmaceutical Co., Ltd. (JP) 2018-10-31 EP disclosed
US-20180162864-A1 PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF AND COMPOSITIONS CONTAINING THE PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2018-06-14 US disclosed
US-9963456-B2 Pyrrolopyrimidine compound or salt thereof and compositions containing the pyrrolopyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD (JP) 2018-05-08 US disclosed
EP-3103802-B1 NOVEL PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF, PHARMACEUTICAL COMPOSITION CONTAINING SAME, ESPECIALLY AGENT FOR PREVENTION AND/OR TREATMENT OF TUMORS ETC BASED ON NAE INHIBITORY EFFECT TAIHO PHARMACEUTICAL CO LTD (JP) 2017-11-08 EP disclosed
US-8507610-B2 Modified polymer material modified by nitrile oxide, and production method thereof TOYODA GOSEI CO., LTD. (JP) 2013-08-13 US disclosed
US-20130197178-A1 CRYSTALLINE 1H-1,2,3-TRIAZOL-5-YLIDENES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-08-01 US disclosed
US-20130197178-A1 CRYSTALLINE 1H-1,2,3-TRIAZOL-5-YLIDENES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-08-01 US disclosed
US-20130197178-A1 CRYSTALLINE 1H-1,2,3-TRIAZOL-5-YLIDENES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-08-01 US disclosed
WO-2011139704-A2 CRYSTALLINE 1H-1,2,3-TRIAZOL-5-YLIDENES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-11-10 WO disclosed
WO-2011139704-A2 CRYSTALLINE 1H-1,2,3-TRIAZOL-5-YLIDENES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-11-10 WO disclosed
EP-0998471-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME ADIR ET COMPAGNIE (FR) 2000-05-10 EP disclosed
WO-1998052935-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME ADIR ET COMPAGNIE (FR) 1998-11-26 WO 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 (4 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-20190010158-A1 ANTITUMOR EFFECT POTENTIATOR COMPRISING PYRROLOPYRIMIDINE COMPOUND MCL1, TP53, DPYD CA1 2565/4885CA2 2864/4885CA7 3167/4885
US-10174040-B2 Pyrrolopyrimidine compound or salt thereof and compositions containing the pyrrolopyrimidine compound or salt thereof KRAS, DPYD, PSTPIP2 CA1 1126/4885CA2 625/4885CA7 396/4885
US-20130197178-A1 CRYSTALLINE 1H-1,2,3-TRIAZOL-5-YLIDENES TCP1, CCT3, CCT2 CA1 77/4885CA2 55/4885CA7 453/4885
US-20180162864-A1 PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF AND COMPOSITIONS CONTAINING THE PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF KRAS, DPYD, PSTPIP2 CA1 1126/4885CA2 625/4885CA7 396/4885

“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.