SCHEMBL2803920

SCHEMBL2803920

Fc1ccc(C2Cc3cnc(NCc4ccco4)nc3-c3ccccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.55
TSHR P16473 2/20 0.55
RXFP1 Q9HBX9 1/20 0.55
FGFR1 P11362 2/20 0.47
FGFR2 P21802 2/20 0.47
MAPK1 P28482 3/20 0.46
HSD17B10 Q99714 2/20 0.46
TP53 P04637 1/20 0.46
ALDH1A1 P00352 4/20 0.43
MAPT P10636 4/20 0.43
KCNH3 Q9ULD8 3/20 0.43
CSF1R P07333 1/20 0.39
FGFR3 P22607 1/20 0.39
KDM4E B2RXH2 5/20 0.39
KMT2A Q03164 3/20 0.39
XBP1 P17861 1/20 0.39
MEN1 O00255 2/20 0.38
MERTK Q12866 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 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) NPSR1TSHRRXFP1FGFR1FGFR2
SCHEMBL2803405 0.90 FGFR1 (0.47) NPSR1TSHRRXFP1FGFR1FGFR2
SCHEMBL2804873 0.88 FGFR1 (0.49) NPSR1TSHRRXFP1FGFR1FGFR2
SCHEMBL2804389 0.85 FGFR1 (0.54) NPSR1TSHRRXFP1FGFR1FGFR2
SCHEMBL2803106 0.84 MAPK1 (0.46) NPSR1TSHRRXFP1FGFR1FGFR2
SCHEMBL13126258 0.82 FGFR1 (0.48) NPSR1TSHRRXFP1FGFR1FGFR2
SCHEMBL2805283 0.81 FGFR1 (0.49) NPSR1TSHRRXFP1FGFR1FGFR2
SCHEMBL2805116 0.81 FGFR1 (0.47) TSHRFGFR1FGFR2MAPK1HSD17B10
SCHEMBL2806265 0.80 FGFR1 (0.46) TSHRFGFR1FGFR2MAPK1HSD17B10
SCHEMBL2802239 0.80 FGFR1 (0.46) FGFR1FGFR2TP53ALDH1A1MAPT

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 NPSR1 3420/4885TSHR 4709/4885RXFP1 4548/4885

“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.