SCHEMBL2803985

SCHEMBL2803985

O=C(Nc1ccc(C2Cc3cnc(NCCCN4CCCC4)nc3-c3ccccc32)cc1)c1cccnc1Cl

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 1/20 0.43
CHRNA7 P36544 6/20 0.42
KCNH2 Q12809 6/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
FGFR1 P11362 7/20 0.40
NAMPT P43490 1/20 0.39
GAA P10253 1/20 0.39
EGFR P00533 1/20 0.38
FGFR2 P21802 1/20 0.38
FGFR4 P22455 1/20 0.38
FGFR3 P22607 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
SCHEMBL2806026 0.87 CHRNA7 (0.47) MAPTCHRNA7KCNH2FGFR1NAMPT
SCHEMBL2809464 0.87 OPRK1 (0.43) MAPTRAB9ASMN1; SMN2FGFR1NAMPT
SCHEMBL2802254 0.86 FGFR1 (0.49) FGFR1EGFRFGFR2FGFR4FGFR3
SCHEMBL2802707 0.85 CHRNA7 (0.44) CHRNA7KCNH2FGFR1
SCHEMBL2803086 0.85 CHRNA7 (0.45) CHRNA7KCNH2FGFR1EGFRFGFR2
SCHEMBL14644925 0.84 HTT (0.46) ALDH1A1RAB9ASMN1; SMN2FGFR1GAA
SCHEMBL2804869 0.84 RIPK1 (0.41) MAPTALDH1A1CHRNA7KCNH2FGFR1
SCHEMBL2807118 0.84 FGFR1 (0.51) MAPTSMN1; SMN2FGFR1EGFRFGFR2
SCHEMBL2803008 0.83 TRPV1 (0.43) MAPTALDH1A1CHRNA7KCNH2SMN1; SMN2
SCHEMBL16360108 0.83 FGFR1 (0.47) RAB9AFGFR1EGFRFGFR2FGFR4

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 MAPT 1884/4885ALDH1A1 510/4885RAB9A 1875/4885

“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.