SCHEMBL2806186

SCHEMBL2806186

Cc1ccc(CN2CCN(C(=O)c3cccc(NC(=O)N4CCc5c(cnc6[nH]ncc56)C4)c3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 10/20 0.48
PRKAA2 P54646 2/20 0.48
PRKAB2 O43741 1/20 0.48
PRKAG1 P54619 1/20 0.48
PRKAA1 Q13131 1/20 0.48
PRKAG3 Q9UGI9 1/20 0.48
PRKAG2 Q9UGJ0 1/20 0.48
PRKAB1 Q9Y478 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
NLRP3 Q96P20 1/20 0.47
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
KDR P35968 2/20 0.41
PAK1 Q13153 1/20 0.41
PDGFRB P09619 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
SCHEMBL2487956 0.88 NPC1 (0.48) NPC1RAB9AKDM4EKDRPAK1
SCHEMBL2487747 0.86 NAMPT (0.50) FAAHPRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL2802904 0.86 RAB9A (0.46) NPC1RAB9AALDH1A1KDRPAK1
SCHEMBL2804740 0.86 MEN1 (0.47) FAAHPRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL2805025 0.84 NPC1 (0.42) FAAHNPC1RAB9AKDRPAK1
SCHEMBL2806850 0.84 RAB9A (0.60) SMN1; SMN2NPC1RAB9AKDRPAK1
SCHEMBL2807727 0.83 PAK1 (0.46) NPC1RAB9APAK1
SCHEMBL2805561 0.83 KDR (0.51) FAAHSMN1; SMN2NLRP3NPC1RAB9A
SCHEMBL2487737 0.83 NPC1 (0.49) FAAHSMN1; SMN2NPC1RAB9AKDR
SCHEMBL2488531 0.82 MEN1 (0.50) SMN1; SMN2NPC1RAB9AALDH1A1KDR

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-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 US disclosed
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 US disclosed
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed
WO-2010078427-A1 SUBSTITUTED PYRAZOLO [3, 4-B] PYRIDINE COMPOUNDS ARQULE, INC. (US) 2010-07-08 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 (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-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS NQO1, IDH3B, IDH1 FAAH 3078/4885PRKAA2 1376/4885PRKAB2 2194/4885

“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.