SCHEMBL2803547

SCHEMBL2803547

Clc1ccc(C2Cc3cnc(Nc4ccc(OCc5ccco5)cc4)nc3-c3ccccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 3/20 0.42
CDK2 P24941 3/20 0.42
KDR P35968 8/20 0.42
FGFR1 P11362 2/20 0.41
FGFR2 P21802 2/20 0.41
CSF1R P07333 1/20 0.40
FGFR3 P22607 1/20 0.40
EGFR P00533 4/20 0.39
PLK1 P53350 3/20 0.37
INSR P06213 1/20 0.37
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
BLM P54132 1/20 0.35
GRM5 P41594 1/20 0.35

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
SCHEMBL2808026 0.93 FGFR1 (0.48) CCNA2CDK2KDRFGFR1FGFR2
SCHEMBL2804027 0.90 FGFR1 (0.43) CCNA2CDK2KDRFGFR1FGFR2
SCHEMBL2803405 0.84 FGFR1 (0.47) FGFR1FGFR2CSF1RFGFR3TP53
SCHEMBL2808076 0.83 CCNA2 (0.56) CCNA2CDK2KDRFGFR1FGFR2
SCHEMBL2489914 0.79 CCNA2 (0.48) CCNA2CDK2KDRFGFR1FGFR2
SCHEMBL2802728 0.79 CCNA2 (0.48) CCNA2CDK2KDRFGFR1FGFR2
SCHEMBL2802789 0.79 CCNA2 (0.48) CCNA2CDK2KDRFGFR1FGFR2
SCHEMBL2806681 0.76 FGFR1 (0.56) FGFR1FGFR2CSF1RFGFR3TP53
SCHEMBL2804797 0.76 FGFR1 (0.50) CCNA2CDK2KDRFGFR1FGFR2
SCHEMBL2805401 0.76 FGFR1 (0.49) CCNA2CDK2KDRFGFR1FGFR2

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 CCNA2 104/4885CDK2 43/4885KDR 1416/4885

“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.