SCHEMBL3769478

SCHEMBL3769478

COCCNC(=O)c1ccc(Nc2nccc3[nH]nc(C)c23)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRAF P15056 7/20 0.46
AURKA O14965 1/20 0.46
AURKB Q96GD4 1/20 0.46
NAMPT P43490 1/20 0.43
LOXL2 Q9Y4K0 3/20 0.43
TNKS O95271 1/20 0.43
RAF1 P04049 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
TRPA1 O75762 1/20 0.42
LOX P28300 2/20 0.41
GRM4 Q14833 1/20 0.41
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL3766435 0.80 ROCK1 (0.44) AURKAAURKBSMN1; SMN2NPC1RAB9A
SCHEMBL382286 0.79 RAB9A (0.46) AURKAAURKBSMN1; SMN2HPGDGRM4
SCHEMBL3775244 0.78 AURKA (0.51) AURKANAMPTSMN1; SMN2KDM4EKMT2A
SCHEMBL3776613 0.77 UTS2R (0.57) SMN1; SMN2KDM4EGRM4ALDH1A1
SCHEMBL3780712 0.76 MAPK8 (0.47) BRAFAURKAAURKBSMN1; SMN2KDM4E
SCHEMBL3774496 0.74 GRM5 (0.47) HPGDKMT2AGRM4NPC1RAB9A
SCHEMBL3764174 0.74 CACNA2D1 (0.46) SMN1; SMN2KDM4EHPGDALDH1A1NPC1
SCHEMBL3768951 0.74 HTT (0.45) KDM4EHPGDKMT2AALDH1A1NPC1
SCHEMBL3775370 0.73 LRRK2 (0.63) SMN1; SMN2KMT2ATRPA1GRM4RAB9A
SCHEMBL3770143 0.73 DHODH (0.53) TRPA1GRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
EP-2408772-B1 COMPOUNDS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2015-07-01 EP disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 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 (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-20170320870-A1 COMPOUNDS CBR3, CNR1, HCAR3 BRAF 1798/4885AURKA 2750/4885AURKB 2662/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 BRAF 1771/4885AURKA 2786/4885AURKB 2669/4885

“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.