SCHEMBL1040912

SCHEMBL1040912

Cn1cc(-c2ccc(Cl)cc2)[c]n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.37
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
NOTUM Q6P988 2/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
GRIN2B Q13224 1/20 0.36
ALDH1A1 P00352 3/20 0.35
GFER P55789 1/20 0.35
MAPT P10636 2/20 0.34
HSD11B1 P28845 1/20 0.34
TSHR P16473 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 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
SCHEMBL8519877 0.84 ALDH1A1 (0.37) TP53SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL1851644 0.82 KMT2A (0.41) MAPK1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL16877095 0.78 IDO1 (0.45) TP53SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL8522855 0.68 CDK2 (0.42) KCNH2TP53NOTUMSMN1; SMN2NPC1
SCHEMBL16877227 0.67 USP2 (0.40) KCNH2USP2TP53MAPK1NOTUM
SCHEMBL1900410 0.65 BRD4 (0.39) SMN1; SMN2NPC1RAB9AALDH1A1TSHR
SCHEMBL15950986 0.65 KCNH2 (0.66) KCNH2GRIN2B
SCHEMBL10558669 0.65 NR1H2 (0.35) KCNH2USP2TP53MAPK1NOTUM
SCHEMBL1900040 0.64 KDM4E (0.45) TP53MAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL14996674 0.64 MAPK13 (0.44) KCNH2MAPK1NOTUMSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3089980-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2018-01-31 EP claimed
US-9670208-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-06-06 US claimed
EP-3089980-A1 SERINE/THREONINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2016-11-09 EP claimed
US-20160304519-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-10-20 US claimed
CN-105980387-A Serine/threonine kinase inhibitors 阵列生物制药公司 2016-09-28 CN claimed
WO-2015103137-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2015-07-09 WO claimed
CN-109219606-B Halogen substituted piperidines as orexin receptor modulators 阿斯利康(瑞典)有限公司 2021-10-01 CN disclosed
EP-3089980-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2018-01-31 EP disclosed
US-9670208-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-06-06 US disclosed
EP-3089980-A1 SERINE/THREONINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2016-11-09 EP disclosed
US-20160304519-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-10-20 US disclosed
WO-2015103137-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2015-07-09 WO disclosed
EP-2063710-B1 DIFLUORINATED PIPERIDINES FOR TREATMENT OF ALZHEIMER'S DISEASE AND RELATED CONDITIONS MERCK SHARP & DOHME (US) 2011-01-26 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 (1 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-20160304519-A1 SERINE/THREONINE KINASE INHIBITORS TTBK1, MAP3K1, TNNI3K KCNH2 4344/4885USP2 2821/4885TP53 710/4885

“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.