SCHEMBL2805644

SCHEMBL2805644

COc1cc(CNC(=O)Nc2ccc(C3Cc4cnc(NCCCCN(C)C)nc4-c4ccccc43)cc2)cc(OC)c1OC

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 4/20 0.40
SELP P16109 1/20 0.38
TYRO3 Q06418 1/20 0.38
CASR P41180 6/20 0.38
NAMPT P43490 1/20 0.38
CSF1R P07333 1/20 0.37
FGFR1 P11362 1/20 0.37
FGFR2 P21802 1/20 0.37
FGFR3 P22607 1/20 0.37
IGF1R P08069 2/20 0.36
ATM Q13315 2/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL2802534 0.89 CNR1 (0.43) SELPTYRO3NAMPTCSF1RFGFR1
SCHEMBL2805255 0.87 FGFR1 (0.44) SELPTYRO3CSF1RFGFR1FGFR2
SCHEMBL2802867 0.86 NAMPT (0.41) SELPTYRO3NAMPTCSF1RFGFR1
SCHEMBL14644933 0.84 SELP (0.40) SELPTYRO3CSF1RFGFR1FGFR2
SCHEMBL2805009 0.84 FGFR1 (0.41) NAMPTCSF1RFGFR1FGFR2FGFR3
SCHEMBL2802460 0.84 FGFR1 (0.39) TYRO3NAMPTCSF1RFGFR1FGFR2
SCHEMBL2807820 0.83 FGFR1 (0.40) SELPTYRO3NAMPTCSF1RFGFR1
SCHEMBL2804236 0.83 FGFR1 (0.38) NAMPTCSF1RFGFR1FGFR2FGFR3
SCHEMBL2803988 0.83 CSF1R (0.41) PTK2SELPTYRO3NAMPTCSF1R
SCHEMBL2805358 0.83 FGFR1 (0.42) TYRO3FGFR1FGFR2

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 PTK2 1189/4885SELP 1190/4885TYRO3 2026/4885

“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.