SCHEMBL2786396

SCHEMBL2786396

COc1ccc(-n2ncc(C(N)=O)c2N)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.70
RIPK2 O43353 1/20 0.66
MAPKAPK2 P49137 2/20 0.64
PTPN1 P18031 1/20 0.64
RAB9A P51151 5/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
LMNA P02545 1/20 0.60
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
PTGS1 P23219 1/20 0.55
LOX P28300 1/20 0.55
PTGS2 P35354 1/20 0.55
CA9 Q16790 1/20 0.55
ALDH1A1 P00352 4/20 0.52
TSHR P16473 1/20 0.51
NPC1 O15118 3/20 0.50
MAPT P10636 3/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50

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 0.89 MAPK14 (0.58) MAPK14RIPK2MAPKAPK2PTPN1RAB9A
SCHEMBL3296237 0.88 PTPN1 (0.79) MAPK14RIPK2MAPKAPK2PTPN1RAB9A
SCHEMBL23723511 0.85 RIPK2 (0.65) MAPK14RIPK2MAPKAPK2PTPN1RAB9A
SCHEMBL30120709 0.85 RIPK2 (0.65) MAPK14RIPK2MAPKAPK2PTPN1RAB9A
SCHEMBL1692019 0.83 RIPK2 (0.71) MAPK14RIPK2MAPKAPK2PTPN1RAB9A
SCHEMBL1356015 0.82 ALDH1A1 (0.79) MAPK14PTPN1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2804588 0.80 RIPK2 (0.71) MAPK14RIPK2PTPN1RAB9ASMN1; SMN2
SCHEMBL4696735 0.80 RIPK2 (0.71) MAPK14RIPK2PTPN1RAB9ASMN1; SMN2
SCHEMBL3830233 0.80 RIPK2 (0.71) MAPK14RIPK2PTPN1RAB9ASMN1; SMN2
SCHEMBL2743084 0.80 RIPK2 (1.00) MAPK14RIPK2RAB9ASMN1; SMN2LMNA

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 11 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
WO-2010118367-A2 ANTIVIRAL PYRIMIDINES PROGENICS PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed
US-20100093821-A1 3-Amino-pyrazole-4-carboxamide derivatives useful as inhibitors of protein kinases HOLZER PHILIPP 2010-04-15 US 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 (2 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 MAPK14 4823/4885RIPK2 4695/4885MAPKAPK2 4841/4885
US-20100093821-A1 3-Amino-pyrazole-4-carboxamide derivatives useful as inhibitors of protein kinases MAP4K2, MAP4K3, MAP4K1 MAPK14 47/4885RIPK2 292/4885MAPKAPK2 25/4885

“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.