SCHEMBL5019489

SCHEMBL5019489

Cc1ccnn2cccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 8/20 0.44
PIK3CA P42336 1/20 0.42
EGFR P00533 1/20 0.39
KDR P35968 1/20 0.39
DYRK1A Q13627 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
DRD4 P21917 2/20 0.33
DRD3 P35462 2/20 0.33
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33

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
SCHEMBL8887892 0.91 MAP4K4 (0.40) MAP4K4PIK3CAEGFRKDRNPC1
SCHEMBL13660727 0.82 MAP4K4 (0.36) MAP4K4PIK3CAEGFRKDRDYRK1A
SCHEMBL25776599 0.77 MAP4K4 (0.44) MAP4K4PIK3CADYRK1ADRD4DRD3
SCHEMBL30645085 0.77 MAP4K4 (0.37) MAP4K4PIK3CAEGFRKDRNPC1
SCHEMBL84746 0.76 NPC1 (0.47) MAP4K4DYRK1ANPC1RAB9ALMNA
SCHEMBL10281634 0.74 SRC (0.37) CYP1A2POLBCYP2D6CYP2C9
SCHEMBL2991851 0.74 NPC1 (0.42) MAP4K4EGFRKDRDYRK1ANPC1
SCHEMBL24548207 0.73 MAP4K4 (0.44) MAP4K4PIK3CAEGFRKDRPTPN1
SCHEMBL9103578 0.73 MAP4K4 (0.44) MAP4K4PIK3CAEGFRKDRDYRK1A
SCHEMBL9934420 0.73 MAP4K4 (0.44) MAP4K4PIK3CADYRK1ADRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023225252-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF RAS THERAS, INC. (US) 2023-11-23 WO disclosed
WO-2023133181-A1 KRAS INHIBITORS THERAS, INC. (US) 2023-07-13 WO disclosed
WO-2023133183-A1 KRAS INHIBITORS THERAS, INC. (US) 2023-07-13 WO disclosed
WO-2023004102-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF RAS THERAS, INC. (US) 2023-01-26 WO disclosed
US-11548890-B1 HPK1 antagonists and uses thereof Nimbus Saturn, Inc. (US) 2023-01-10 US disclosed
WO-2022091048-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2022-05-05 WO disclosed
US-11078201-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1H-pyrrol[3,4-c]pyridin-1-ones as HPK1 antagonists Nimbus Saturn, Inc. (US) 2021-08-03 US disclosed
US-20210087190-A1 SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-03-25 US disclosed
US-20210087189-A1 SUBSTITUTED ISINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,3-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-03-25 US disclosed
WO-2019200120-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS LYCERA CORPORATION (US) 2019-10-17 WO disclosed
US-8785454-B2 Heterocyclic compounds and uses thereof INTELLIKINE LLC (US) 2014-07-22 US disclosed
US-20140038970-A1 BRIDGED AND FUSED ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2014-02-06 US disclosed
US-8575166-B2 Phthalazine-containing antidiabetic compounds MERCK SHARP & DOHME CORP. (US) 2013-11-05 US disclosed
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. 2012-12-27 US disclosed
WO-2012064973-A2 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2012-05-18 WO disclosed
US-20120004234-A1 PHTHALAZINE-CONTAINING ANTIDIABETIC COMPOUNDS SCHERING CORPORATION (US) 2012-01-05 US disclosed
US-20110312967-A1 BRIDGED AND FUSED ANTIDIABETIC COMPOUNDS SCHERING CORPORATION (US) 2011-12-22 US disclosed
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 US disclosed
US-7432373-B2 Processes and intermediates useful for preparing fused heterocyclic kinase inhibitors BRISTOL-MEYERS SQUIBB COMPANY (US) 2008-10-07 US disclosed
EP-0244166-A2 Heterocyclic acetyl sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-11-04 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 (8 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-20120004234-A1 PHTHALAZINE-CONTAINING ANTIDIABETIC COMPOUNDS GPR119, FFAR2, FFAR1 MAP4K4 2634/4885PIK3CA 1146/4885EGFR 2292/4885
US-11548890-B1 HPK1 antagonists and uses thereof PDXK, HIPK1, PCK1 MAP4K4 145/4885PIK3CA 821/4885EGFR 4399/4885
US-20140038970-A1 BRIDGED AND FUSED ANTIDIABETIC COMPOUNDS GPR119, FFAR2, FFAR1 MAP4K4 2294/4885PIK3CA 1857/4885EGFR 1515/4885
US-20210087190-A1 SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS HIPK1, PDXK, IP6K1 MAP4K4 147/4885PIK3CA 1099/4885EGFR 4666/4885
US-20110312967-A1 BRIDGED AND FUSED ANTIDIABETIC COMPOUNDS GPR119, FFAR2, FFAR1 MAP4K4 2384/4885PIK3CA 1864/4885EGFR 1553/4885
US-11078201-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1H-pyrrol[3,4-c]pyridin-1-ones as HPK1 antagonists HIPK1, PDXK, IP6K1 MAP4K4 149/4885PIK3CA 1181/4885EGFR 4733/4885
US-20210087189-A1 SUBSTITUTED ISINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,3-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS HIPK1, PDXK, SIK1 MAP4K4 230/4885PIK3CA 860/4885EGFR 4752/4885
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB MAP4K4 130/4885PIK3CA 1/4885EGFR 2377/4885

“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.