SCHEMBL2803628

SCHEMBL2803628

CN(Cc1ccccc1)c1ncc2c(n1)-c1ccccc1C1(CCNCC1)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
RPS6KB1 P23443 1/20 0.36
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
HTR2B P41595 2/20 0.33
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CASR P41180 2/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
NTRK1 P04629 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL2803695 0.91 OPRM1 (0.36) OPRM1OPRL1USP2LMNATSHR
SCHEMBL16349397 0.87 CYP3A4 (0.33) USP2LMNATSHRMAPK1NPSR1
SCHEMBL2804689 0.81 LMNA (0.33) USP2LMNATSHR
SCHEMBL17057495 0.80
SCHEMBL2803960 0.76 KDR (0.37) ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL2804032 0.74 HPGD (0.40) HTR2C
SCHEMBL2804238 0.73 TRIM58 (0.36) POLB
SCHEMBL13273733 0.73 MAPK1 (0.34) USP2LMNATSHRMAPK1ALDH1A1
SCHEMBL2805033 0.73 GRM5 (0.40) CCNT1CDK9ALDH1A1
SCHEMBL2804356 0.73 HDAC3 (0.39) RPS6KB1

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
EP-2379506-B1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F]ISOQUINOLIN-2-AMINE COMPOUNDS ARQULE INC (US) 2015-09-02 EP disclosed
EP-2379506-B1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F]ISOQUINOLIN-2-AMINE COMPOUNDS ARQULE INC (US) 2015-09-02 EP disclosed
US-8357694-B2 Substituted 5,6-dihydro-6-phenylbenzo[F]isoquinolin-2-amine compounds ARQULE, INC. (US) 2013-01-22 US disclosed
US-8357694-B2 Substituted 5,6-dihydro-6-phenylbenzo[F]isoquinolin-2-amine compounds ARQULE, INC. (US) 2013-01-22 US disclosed
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
WO-2010078421-A1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F] ISOQUINOLIN-2-AMINE 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-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 OPRM1 1599/4885OPRL1 964/4885RPS6KB1 1714/4885

“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.