SCHEMBL2804751

SCHEMBL2804751

CNc1ncc2c(n1)-c1ccccc1C1(CCN(Cc3cccc(C)c3)CC1)C2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM3 P20309 1/20 0.39
CDK2 P24941 4/20 0.39
AURKA O14965 2/20 0.39
CCNA2 P20248 2/20 0.38
CCNA1 P78396 2/20 0.38
PLK1 P53350 1/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
IGF1R P08069 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
SCHEMBL2805415 0.90 SIGMAR1 (0.46) SIGMAR1ALDH1A1
SCHEMBL2803119 0.90 MEN1 (0.39) ALDH1A1CDK2AURKACCNA2CCNA1
SCHEMBL2801907 0.90 PLK1 (0.44) SIGMAR1ALDH1A1CHRM2CHRM3CDK2
SCHEMBL2805196 0.90 SIGMAR1 (0.50) SIGMAR1ALDH1A1CDK2CCNA2CCNA1
SCHEMBL2803621 0.89 SIGMAR1 (0.46) SIGMAR1MAPTALDH1A1
SCHEMBL2804912 0.88 CHKA (0.41) SIGMAR1
SCHEMBL2805393 0.88 OPRL1 (0.42) SIGMAR1ALDH1A1HCRTR1HCRTR2IGF1R
SCHEMBL2803925 0.88 DRD4 (0.42) ALDH1A1CDK2AURKACCNA2CCNA1
SCHEMBL2803924 0.88 DRD4 (0.42) ALDH1A1CDK2AURKACCNA2CCNA1
SCHEMBL2804117 0.86 SIGMAR1 (0.41) SIGMAR1ALDH1A1PLK1IGF1R

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 SIGMAR1 2817/4885MAPT 1884/4885ALDH1A1 510/4885

“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.