SCHEMBL2804795

SCHEMBL2804795

Clc1ccc(C2Cc3cnc(NC4CCC4)nc3-c3ccccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.51
FGFR2 P21802 2/20 0.51
ADORA1 P30542 3/20 0.48
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDR P35968 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
CDK7 P50613 4/20 0.38
CDK9 P50750 4/20 0.38
CDK2 P24941 4/20 0.38
CCNT1 O60563 3/20 0.38
CCNK O75909 3/20 0.38
CCNE1 P24864 3/20 0.38
CDK12 Q9NYV4 3/20 0.38
CCNH P51946 2/20 0.38

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
SCHEMBL2808072 0.97 ADORA1 (0.50) FGFR1FGFR2ADORA1KDM4ECYP1A2
SCHEMBL2804861 0.91 FGFR1 (0.61) FGFR1FGFR2ADORA1MKNK1MKNK2
SCHEMBL2802427 0.89 FGFR1 (0.51) FGFR1FGFR2ADORA1KDM4ECYP1A2
SCHEMBL2806784 0.88 FGFR1 (0.60) FGFR1FGFR2ADORA1KDM4ECDK7
SCHEMBL2805457 0.88 FGFR1 (0.60) FGFR1FGFR2ADORA1KDM4ECDK7
SCHEMBL2804983 0.87 ADORA1 (0.47) FGFR1FGFR2ADORA1KDRMKNK1
SCHEMBL2802914 0.86 FGFR1 (0.44) FGFR1FGFR2ADORA1CDK2CCNA2
SCHEMBL2804944 0.86 FGFR1 (0.50) FGFR1FGFR2ADORA1KDM4ECYP1A2
SCHEMBL2803454 0.86 FGFR1 (0.50) FGFR1FGFR2ADORA1KDM4ECYP1A2
SCHEMBL2806011 0.84 ADORA1 (0.49) FGFR1FGFR2ADORA1KDRMKNK1

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 8 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
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 FGFR1 530/4885FGFR2 511/4885ADORA1 2167/4885

“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.