SCHEMBL2803405

SCHEMBL2803405

Clc1ccc(C2Cc3cnc(NCc4ccco4)nc3-c3ccccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.47
FGFR2 P21802 2/20 0.47
HSD17B10 Q99714 3/20 0.46
MAPK1 P28482 2/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ALDH1A1 P00352 5/20 0.43
MAPT P10636 4/20 0.43
LMNA P02545 3/20 0.42
USP2 O75604 1/20 0.42
MCHR1 Q99705 1/20 0.38
MERTK Q12866 1/20 0.37
KDM4E B2RXH2 5/20 0.37
HTT P42858 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
POLB P06746 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
SCHEMBL2806681 0.92 FGFR1 (0.56) FGFR1FGFR2HSD17B10MAPK1TP53
SCHEMBL2803920 0.90 NPSR1 (0.55) FGFR1FGFR2HSD17B10MAPK1TP53
SCHEMBL2803106 0.88 MAPK1 (0.46) FGFR1FGFR2HSD17B10MAPK1TP53
SCHEMBL2803281 0.85 FGFR1 (0.54) FGFR1FGFR2MAPK1ALDH1A1MAPT
SCHEMBL2804873 0.84 FGFR1 (0.49) FGFR1FGFR2HSD17B10MAPK1TP53
SCHEMBL2803547 0.84 CCNA2 (0.42) FGFR1FGFR2TP53MAPTPOLB
SCHEMBL2804827 0.82 FGFR1 (0.47) FGFR1FGFR2ALDH1A1MAPTLMNA
SCHEMBL2803863 0.81 FGFR1 (0.49) FGFR1FGFR2ALDH1A1MAPTLMNA
SCHEMBL2802677 0.81 FGFR1 (0.49) FGFR1FGFR2ALDH1A1MAPTLMNA
SCHEMBL2806354 0.81 FGFR1 (0.47) FGFR1FGFR2HSD17B10MAPK1NPSR1

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 511/4885HSD17B10 2234/4885

“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.