SCHEMBL2804158

SCHEMBL2804158

Clc1ccccc1C1Cc2cnc(NCc3cccnc3)nc2-c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
VNN1 O95497 2/20 0.44
FGFR1 P11362 3/20 0.44
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
FGFR2 P21802 2/20 0.44
CSF1R P07333 1/20 0.44
FGFR3 P22607 1/20 0.44
USP2 O75604 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP2D6 P10635 2/20 0.43
TSHR P16473 2/20 0.43
MAPK1 P28482 2/20 0.43
CYP2C19 P33261 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
GPR84 Q9NQS5 1/20 0.42
APAF1 O14727 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
SCHEMBL2804043 0.91 FGFR1 (0.47) CYP1A2CYP3A4VNN1FGFR1FGFR2
SCHEMBL2806354 0.88 FGFR1 (0.47) CYP1A2CYP3A4VNN1FGFR1MKNK1
SCHEMBL2805652 0.88 FGFR1 (0.56) CYP1A2CYP3A4VNN1FGFR1FGFR2
SCHEMBL2803026 0.88 FGFR1 (0.56) CYP1A2CYP3A4VNN1FGFR1MKNK1
SCHEMBL2805116 0.84 FGFR1 (0.47) CYP1A2CYP3A4VNN1FGFR1FGFR2
SCHEMBL2802449 0.84 FGFR1 (0.44) VNN1FGFR1FGFR2CSF1RFGFR3
SCHEMBL2805624 0.82 FGFR1 (0.44) VNN1FGFR1FGFR2CSF1RFGFR3
SCHEMBL2802735 0.82 FGFR1 (0.46) CYP1A2CYP3A4VNN1FGFR1FGFR2
SCHEMBL2803877 0.81 FGFR1 (0.45) CYP1A2CYP3A4FGFR1FGFR2CSF1R
SCHEMBL2805731 0.81 FGFR1 (0.42) FGFR1FGFR2CSF1RFGFR3ALDH1A1

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 1058/4885VNN1 3935/4885

“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.