SCHEMBL3766435

SCHEMBL3766435

Cc1n[nH]c2ccnc(Nc3ccc(C(N)=O)cc3)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.44
CDK2 P24941 2/20 0.44
CDC7 O00311 1/20 0.44
ROCK2 O75116 1/20 0.44
MAP4K4 O95819 1/20 0.44
PIM1 P11309 1/20 0.44
PRKACA P17612 1/20 0.44
GSK3B P49841 1/20 0.44
HIPK2 Q9H2X6 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
LRRK2 Q5S007 2/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
AHR P35869 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
F9 P00740 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MAP2K4 P45985 2/20 0.41

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
SCHEMBL3768936 0.86 EGFR (0.48) ROCK1MAP2K4
SCHEMBL3774972 0.85 FYN (0.46) CDK2CLK4LRRK2MAPTMAPK1
SCHEMBL3780712 0.84 MAPK8 (0.47) LRRK2MAPTSMN1; SMN2KDRMAPK8
SCHEMBL3775329 0.83 LRRK2 (0.61) LRRK2NPC1MAPTAHRRAB9A
SCHEMBL3774496 0.82 GRM5 (0.47) LRRK2NPC1RAB9AMAPK8MAPK10
SCHEMBL3768951 0.81 HTT (0.45) LRRK2NPC1RAB9AFLT3
SCHEMBL3775370 0.80 LRRK2 (0.63) CDK2LRRK2AHRRAB9ASMN1; SMN2
SCHEMBL3763899 0.80 GRM4 (0.51) CDK2LRRK2NPC1MAPTRAB9A
SCHEMBL3769478 0.80 BRAF (0.46) NPC1RAB9ASMN1; SMN2AURKAAURKB
SCHEMBL382286 0.80 RAB9A (0.46) CDK2NPC1RAB9ASMN1; SMN2MAPKAPK2

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 ROCK1 2568/4885CDK2 1783/4885CDC7 1329/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 ROCK1 2583/4885CDK2 1734/4885CDC7 1362/4885

“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.