SCHEMBL2808397

SCHEMBL2808397

COc1ccccc1CNc1ncc2c(n1)-c1ccccc1C(c1ccccc1Cl)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.47
CYP3A4 P08684 7/20 0.47
CYP2D6 P10635 7/20 0.47
TSHR P16473 7/20 0.47
CYP2C19 P33261 7/20 0.47
ALOX15 P16050 3/20 0.47
USP2 O75604 1/20 0.47
CLK4 Q9HAZ1 3/20 0.45
MAPK1 P28482 3/20 0.45
TP53 P04637 2/20 0.45
HIF1A Q16665 2/20 0.45
FGFR1 P11362 3/20 0.42
FGFR2 P21802 2/20 0.42
CSF1R P07333 1/20 0.42
FGFR3 P22607 1/20 0.42
P2RX7 Q99572 2/20 0.41
HSD17B10 Q99714 4/20 0.41
CYP2C9 P11712 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41

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
SCHEMBL2802781 0.89 FGFR1 (0.54) CYP1A2CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL2802105 0.88 FGFR1 (0.54) CYP1A2CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL2803877 0.87 FGFR1 (0.45) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL2806265 0.86 FGFR1 (0.46) CYP1A2CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL2805731 0.85 FGFR1 (0.42) FGFR1FGFR2CSF1RFGFR3P2RX7
SCHEMBL2805624 0.85 FGFR1 (0.44) CLK4FGFR1FGFR2CSF1RFGFR3
SCHEMBL2803090 0.83 FGFR1 (0.54) CYP1A2CYP3A4CYP2C19ALOX15CLK4
SCHEMBL2804043 0.83 FGFR1 (0.47) CYP1A2CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL2806906 0.83 CSF1R (0.51) TSHRALOX15USP2MAPK1TP53
SCHEMBL2804022 0.81 FGFR1 (0.43) FGFR1FGFR2CSF1RFGFR3IGF1R

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 CYP1A2 612/4885CYP3A4 1058/4885CYP2D6 26/4885

“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.