SCHEMBL15942804

SCHEMBL15942804

Cc1cnc2[nH]cc(C(N)=O)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.45
AXL P30530 6/20 0.45
PARP1 P09874 1/20 0.44
CYP2C19 P33261 1/20 0.43
IKBKB O14920 1/20 0.43
CYP3A4 P08684 1/20 0.42
NTRK1 P04629 2/20 0.41
NNMT P40261 2/20 0.41
AAK1 Q2M2I8 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ATM Q13315 1/20 0.40
CDC7 O00311 1/20 0.39
PLK4 O00444 1/20 0.39
CHEK1 O14757 1/20 0.39
AURKA O14965 1/20 0.39
MAPK13 O15264 1/20 0.39
PDPK1 O15530 1/20 0.39
DYRK3 O43781 1/20 0.39
ROCK2 O75116 1/20 0.39
RPS6KA5 O75582 1/20 0.39

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
SCHEMBL30267564 0.87 AXL (0.50) BRAFAXLCYP2C19CYP3A4NTRK1
SCHEMBL13941746 0.87 AXL (0.50) BRAFAXLCYP2C19CYP3A4NTRK1
SCHEMBL12146867 0.85 CYP2C19 (0.47) BRAFAXLCYP2C19CYP3A4NTRK1
SCHEMBL21015038 0.84 BRAF (0.40) BRAFAXLCYP2C19IKBKBCYP3A4
SCHEMBL12616389 0.83 BRAF (0.43) BRAFAXLCYP2C19CYP3A4NTRK1
SCHEMBL19657575 0.83 NTRK1 (0.47) BRAFAXLCYP2C19CYP3A4NTRK1
SCHEMBL9938466 0.83 AXL (0.64) BRAFAXLCYP2C19ATMMAP2K1
SCHEMBL3705466 0.82 CYP3A4 (0.52) BRAFAXLPARP1CYP2C19CYP3A4
SCHEMBL3710853 0.81 NEK2 (0.50) BRAFAXLPARP1CYP2C19CYP3A4
SCHEMBL25251383 0.81 LMNA (0.56) BRAFAXLCYP2C19CYP3A4NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106866658-B 1H-pyrrolo [2,3-b ] pyridine derivatives and their use as kinase inhibitors 沃纳利斯(R&D)有限公司 2021-04-27 CN disclosed
CN-111484493-A 1H-pyrrolo [2,3-b ] pyridine derivatives and their use as kinase inhibitors 沃纳利斯(R&D)有限公司 2020-08-04 CN disclosed
US-20200172534-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2020-06-04 US disclosed
EP-2699576-B1 PYRAZOLOSPIROKETONE DERIVATIVES FOR USE AS ACETYL-COA CARBOXYLASE INHIBITORS PFIZER (US) 2015-12-09 EP disclosed
US-20150336958-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2015-11-26 US disclosed
US-20150112068-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2015-04-23 US disclosed
US-20140323730-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS PFIZER (US) 2014-10-30 US disclosed
US-8802688-B2 Substituted acetyl-coa carboxylase inhibitors PFIZER INC. (US) 2014-08-12 US 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-20150336958-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, ACAT1 BRAF 3579/4885AXL 4690/4885PARP1 1085/4885
US-20150112068-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, ACAT1 BRAF 3579/4885AXL 4690/4885PARP1 1085/4885
US-20200172534-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 BRAF 369/4885AXL 4361/4885PARP1 999/4885
US-20140323730-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, ACAT1 BRAF 3541/4885AXL 4724/4885PARP1 1065/4885

“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.