SCHEMBL3300932

SCHEMBL3300932

COc1ccc(-n2ncc(C#N)c2N)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.66
KDM4E B2RXH2 1/20 0.66
MEN1 O00255 1/20 0.66
XDH P47989 3/20 0.59
F2 P00734 1/20 0.58
NPBWR1 P48145 1/20 0.53
MCHR1 Q99705 1/20 0.53
PTGS1 P23219 1/20 0.51
PTGS2 P35354 1/20 0.51
MAPK14 Q16539 1/20 0.50
MAPKAPK2 P49137 1/20 0.49
USP7 Q93009 1/20 0.49
GLA P06280 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
CSNK2A1 P68400 1/20 0.48
PTPN1 P18031 1/20 0.46
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 2/20 0.46

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
SCHEMBL3961463 0.88 MAPK14 (0.58) KMT2AKDM4EMEN1XDHF2
SCHEMBL30120645 0.84 KMT2A (0.71) KMT2AKDM4EMEN1XDHF2
SCHEMBL544885 0.84 KMT2A (0.71) KMT2AKDM4EMEN1XDHF2
SCHEMBL1456317 0.83 KMT2A (0.71) KMT2AKDM4EMEN1XDHPTGS2
SCHEMBL3871978 0.82 KMT2A (0.62) KMT2AKDM4EMEN1XDHNPBWR1
SCHEMBL17877705 0.81 KMT2A (0.61) KMT2AKDM4EMEN1XDHF2
SCHEMBL3876365 0.81 KMT2A (0.73) KMT2AKDM4EMEN1XDHPTGS2
SCHEMBL1143771 0.80 KMT2A (0.71) KMT2AKDM4EMEN1XDHPTGS1
SCHEMBL4700651 0.80 KMT2A (0.71) KMT2AKDM4EMEN1XDHPTGS1
SCHEMBL3871259 0.80 KMT2A (1.00) KMT2AKDM4EMEN1XDHPTGS1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230140216-A1 COMBINATION THERAPY FOR TREATING MPS1 GAIN THERAPEUTICS SA (CH) 2023-05-04 US disclosed
US-20230140216-A1 COMBINATION THERAPY FOR TREATING MPS1 GAIN THERAPEUTICS SA (CH) 2023-05-04 US disclosed
US-20230140216-A1 COMBINATION THERAPY FOR TREATING MPS1 GAIN THERAPEUTICS SA (CH) 2023-05-04 US disclosed
EP-4100015-A1 COMBINATION THERAPY FOR TREATING MPS1 Gain Therapeutics SA (CH) 2022-12-14 EP disclosed
CN-115397423-A Combination therapy for the treatment of MPS1 增益治疗股份有限公司 2022-11-25 CN disclosed
WO-2021156774-A1 COMBINATION THERAPY FOR TREATING MPS1 GAIN THERAPEUTICS SA (CH) 2021-08-12 WO disclosed
WO-2021156774-A1 COMBINATION THERAPY FOR TREATING MPS1 GAIN THERAPEUTICS SA (CH) 2021-08-12 WO disclosed
US-20100093821-A1 3-Amino-pyrazole-4-carboxamide derivatives useful as inhibitors of protein kinases HOLZER PHILIPP 2010-04-15 US disclosed
EP-2079702-A1 3-AMINO-PYRAZOLE-4-CARBOXAMIDE DERIVATIVES USEFUL AS INHIBITORS OF PROTEIN KINASES Novartis AG (CH) 2009-07-22 EP disclosed
WO-2008052974-A1 3-AMINO-PYRAZOLE-4-CARBOXAMIDE DERIVATIVES USEFUL AS INHIBITORS OF PROTEIN KINASES NOVARTIS AG (CH) 2008-05-08 WO disclosed
US-20060167020-A1 Pyrazolopyrimidines as kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2006-07-27 US disclosed
EP-1551841-A1 PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS SmithKline Beecham Corporation (US) 2005-07-13 EP disclosed
EP-1523314-A2 PYRAZOLOPYRIMIDINES AS PROTEIN KINASE INHIBITORS SmithKline Beecham Corporation (US) 2005-04-20 EP disclosed
WO-2004009602-A1 PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-01-29 WO disclosed
WO-2004009602-A1 PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-01-29 WO disclosed
WO-2004009597-A2 PYRAZOLOPYRIMIDINES AS PROTEIN KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-01-29 WO disclosed
US-4920119-A XANTHINE OXIDASE INHIBITORS; CONTROL OR PREVENTION OF GOUT OR ISCHEMIA HOFFMANN-LA ROCHE INC. (US) 1990-04-24 US disclosed
EP-0274654-A2 1,2,3-Triazin-4(3H)-one derivatives, process for their preparation and medicaments containing them F. HOFFMANN-LA ROCHE AG (CH) 1988-07-20 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 (3 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-20230140216-A1 COMBINATION THERAPY FOR TREATING MPS1 IDUA, MAN2B1, GBA1 KMT2A 3761/4885KDM4E 3566/4885MEN1 1434/4885
US-20060167020-A1 Pyrazolopyrimidines as kinase inhibitors MAP3K12, MAP3K5, MAP3K2 KMT2A 1420/4885KDM4E 1432/4885MEN1 3379/4885
US-20100093821-A1 3-Amino-pyrazole-4-carboxamide derivatives useful as inhibitors of protein kinases MAP4K2, MAP4K3, MAP4K1 KMT2A 875/4885KDM4E 907/4885MEN1 3441/4885

“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.