SCHEMBL2489655

SCHEMBL2489655

Brc1cccc(C2Cc3cnc(Nc4ccc(CCN5CCOCC5)cc4)nc3-c3ccccc32)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.46
CDK1 P06493 8/20 0.46
KDR P35968 8/20 0.46
CSF1R P07333 3/20 0.42
FGFR1 P11362 2/20 0.42
FGFR2 P21802 2/20 0.42
FGFR3 P22607 1/20 0.42
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
RPS6KA3 P51812 1/20 0.39
EGFR P00533 2/20 0.39
AURKA O14965 1/20 0.38
CDK2 P24941 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
SCHEMBL2488996 0.93 FGFR1 (0.48) IGF1RCDK1KDRCSF1RFGFR1
SCHEMBL2487273 0.92 KDR (0.49) IGF1RCDK1KDRCSF1RFGFR1
SCHEMBL13273572 0.92 KDR (0.49) IGF1RCDK1KDRCSF1RFGFR1
SCHEMBL2492521 0.92 KDR (0.49) IGF1RCDK1KDRCSF1RFGFR1
Hydrochloric Acid SCHEMBL2806717 0.91 KDR (0.48) IGF1RCDK1KDRCSF1RFGFR1
Hydrochloric Acid SCHEMBL2489646 0.91 KDR (0.48) IGF1RCDK1KDRCSF1RFGFR1
SCHEMBL2489055 0.91 IGF1R (0.43) IGF1RCDK1KDRCSF1RFGFR1
SCHEMBL2806869 0.88 FGFR1 (0.51) IGF1RCDK1KDRCSF1RFGFR1
SCHEMBL2486918 0.88 FGFR1 (0.51) IGF1RCDK1KDRCSF1RFGFR1
SCHEMBL2488685 0.88 CDK1 (0.51) IGF1RCDK1KDRCSF1RFGFR1

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 10 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
EP-2379506-A1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F]ISOQUINOLIN-2-AMINE COMPOUNDS ArQule, Inc. (US) 2011-10-26 EP 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
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 IGF1R 2484/4885CDK1 318/4885KDR 1416/4885

“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.