SCHEMBL2805751

SCHEMBL2805751

CNc1ncc2c(n1)-c1ccccc1C1(CCN(C(=O)Nc3ccc4ccccc4c3)CC1)C2

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 14/20 0.44
HSD17B10 Q99714 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
P2RY12 Q9H244 1/20 0.40
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LIMK1 P53667 1/20 0.37
LIMK2 P53671 1/20 0.37

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
SCHEMBL13273848 1.00 NPY5R (0.44) NPY5RHSD17B10NPSR1P2RY12KDM4E
SCHEMBL2802647 0.90 NPY5R (0.43) NPY5RKDM4E
SCHEMBL2802649 0.90 NPY5R (0.43) NPY5RKDM4E
SCHEMBL2802712 0.89 HDAC3 (0.47) NPY5RKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL2802715 0.89 HDAC3 (0.47) NPY5RKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL2803858 0.89 SMN1; SMN2 (0.50) NPY5RHSD17B10KDM4ENPC1TP53
SCHEMBL2803860 0.89 SMN1; SMN2 (0.50) NPY5RHSD17B10KDM4ENPC1TP53
SCHEMBL13273931 0.89 NPY5R (0.49) NPY5RKDM4ESMN1; SMN2
SCHEMBL2805381 0.89 ALDH1A1 (0.46) NPY5RNPSR1P2RY12RAB9ASMN1; SMN2
SCHEMBL2805386 0.89 ALDH1A1 (0.46) NPY5RNPSR1P2RY12RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8357694-B2 Substituted 5,6-dihydro-6-phenylbenzo[F]isoquinolin-2-amine compounds ARQULE, INC. (US) 2013-01-22 US disclosed
US-20100239525-A1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F]ISOQUINOLIN-2-AMINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 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 (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-20100239525-A1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F]ISOQUINOLIN-2-AMINE COMPOUNDS NQO1, DPYD, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 NPY5R 617/4885HSD17B10 2234/4885NPSR1 3420/4885

“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.