SCHEMBL2804649

SCHEMBL2804649

Clc1ccc([C@@H]2Cc3cnc(Nc4ccc(CCN5CCCCC5)cc4)nc3-c3ccccc32)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 8/20 0.49
KDR P35968 8/20 0.49
FGFR1 P11362 2/20 0.42
CSF1R P07333 1/20 0.42
FGFR2 P21802 1/20 0.42
FGFR3 P22607 1/20 0.42
IGF1R P08069 2/20 0.41
SLC6A4 P31645 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40
WEE1 P30291 1/20 0.40
AXL P30530 3/20 0.40
RET P07949 1/20 0.40
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL2490000 1.00 CDK1 (0.49) CDK1KDRFGFR1CSF1RFGFR2
SCHEMBL2488857 1.00 CDK1 (0.49) CDK1KDRFGFR1CSF1RFGFR2
SCHEMBL2488787 0.94 CDK1 (0.55) CDK1KDRFGFR1CSF1RFGFR2
SCHEMBL2806406 0.94 CDK1 (0.55) CDK1KDRFGFR1CSF1RFGFR2
SCHEMBL13273728 0.93 FGFR1 (0.51) CDK1KDRFGFR1CSF1RFGFR2
Hydrochloric Acid SCHEMBL2807851 0.93 CDK1 (0.54) CDK1KDRFGFR1CSF1RFGFR2
Hydrochloric Acid SCHEMBL2807855 0.93 CDK1 (0.54) CDK1KDRFGFR1CSF1RFGFR2
Hydrochloric Acid SCHEMBL2491573 0.92 FGFR1 (0.50) CDK1KDRFGFR1CSF1RFGFR2
SCHEMBL2488685 0.92 CDK1 (0.51) CDK1KDRFGFR1CSF1RFGFR2
SCHEMBL2490177 0.92 CDK1 (0.51) CDK1KDRFGFR1CSF1RFGFR2

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
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 CDK1 318/4885KDR 1416/4885FGFR1 530/4885

“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.