SCHEMBL382286

SCHEMBL382286

Cc1n[nH]c2ccnc(Nc3ccc(C(=O)NC4CCCC4)cc3)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
CYP1A2 P05177 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
IGF1R P08069 3/20 0.45
AXL P30530 1/20 0.45
CDK2 P24941 3/20 0.43
MAPKAPK2 P49137 1/20 0.43
AURKA O14965 2/20 0.42
AURKB Q96GD4 2/20 0.42
KCNH2 Q12809 1/20 0.42
MAPK14 Q16539 1/20 0.41
KIT P10721 1/20 0.41
PDGFRA P16234 1/20 0.41
KDR P35968 1/20 0.41
SYK P43405 1/20 0.41
CCNE1 P24864 1/20 0.41
GRM4 Q14833 1/20 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
SCHEMBL3764198 0.81 HPGD (0.48) RAB9ANPC1HPGDSMN1; SMN2SYK
SCHEMBL3766435 0.80 ROCK1 (0.44) RAB9ANPC1SMN1; SMN2IGF1RCDK2
SCHEMBL3769478 0.79 BRAF (0.46) RAB9ANPC1HPGDSMN1; SMN2AURKA
SCHEMBL381411 0.79 NPC1 (0.52) RAB9ANPC1CYP1A2HPGDCYP2C19
SCHEMBL3774496 0.79 GRM5 (0.47) RAB9ANPC1HPGDPDGFRAGRM4
SCHEMBL3774972 0.78 FYN (0.46) CYP1A2HPGDCYP2C19CDK2AURKA
SCHEMBL3780712 0.76 MAPK8 (0.47) SMN1; SMN2AURKAAURKBKDR
SCHEMBL3769161 0.76 LRRK2 (0.63)
SCHEMBL3775329 0.75 LRRK2 (0.61) RAB9ANPC1SMN1; SMN2KDRGRM4
SCHEMBL416367 0.75 LRRK2 (0.64)

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 10 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
EP-2408772-A1 COMPOUNDS Medical Research Council Technology (GB) 2012-01-25 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
WO-2010106333-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-09-23 WO disclosed
WO-2010106333-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-09-23 WO 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 RAB9A 679/4885NPC1 230/4885CYP1A2 613/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 RAB9A 669/4885NPC1 236/4885CYP1A2 608/4885

“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.