SCHEMBL2805358

SCHEMBL2805358

CN(C)CCCCNc1ncc2c(n1)-c1ccccc1C(c1ccc(NC(=O)Nc3cccc4ccccc34)cc1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 3/20 0.42
RAB9A P51151 4/20 0.41
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 4/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NOX1 Q9Y5S8 1/20 0.41
NPC1 O15118 2/20 0.40
PDGFRA P16234 2/20 0.38
RET P07949 1/20 0.38
GRK5 P34947 1/20 0.38
CDK8 P49336 1/20 0.38
PRKX P51817 1/20 0.38
TYRO3 Q06418 1/20 0.38
PRKAA1 Q13131 1/20 0.38
ROCK1 Q13464 1/20 0.38
MAPK14 Q16539 1/20 0.38

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
SCHEMBL2803447 0.91 FGFR1 (0.39) FGFR1KDM4EALDH1A1FGFR2EGFR
SCHEMBL2802460 0.89 FGFR1 (0.39) FGFR1RAB9AKDM4EALDH1A1NPC1
SCHEMBL2805255 0.88 FGFR1 (0.44) FGFR1RAB9AKDM4EMAPTALDH1A1
SCHEMBL2805673 0.88 IGF1R (0.40) FGFR1KDM4EALDH1A1GAAPOLB
SCHEMBL2805009 0.88 FGFR1 (0.41) FGFR1GAAFGFR2CYP1A2EGFR
SCHEMBL2804236 0.87 FGFR1 (0.38) FGFR1NTRK2FGFR2EGFRMERTK
SCHEMBL2804758 0.86 MEN1 (0.39) FGFR1RAB9AKMT2AKDM4EMEN1
SCHEMBL16360137 0.86 FGFR1 (0.40) FGFR1RAB9AKMT2AKDM4EMEN1
SCHEMBL2804284 0.86 FGFR1 (0.44) FGFR1RAB9ANPC1TYRO3MAPK14
SCHEMBL2803216 0.85 NPC1 (0.42) FGFR1RAB9AKMT2AKDM4EMEN1

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 7 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
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 530/4885RAB9A 1875/4885KMT2A 662/4885

“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.