SCHEMBL2489055

SCHEMBL2489055

Brc1cccc(C2Cc3cnc(Nc4ccc(CCN5CCN(c6ccccc6)CC5)cc4)nc3-c3ccccc32)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.43
KDR P35968 4/20 0.42
CDK1 P06493 3/20 0.42
EGFR P00533 3/20 0.41
FGFR1 P11362 2/20 0.41
FGFR2 P21802 2/20 0.41
CSF1R P07333 1/20 0.41
FGFR3 P22607 1/20 0.41
HTR1A P08908 8/20 0.40
DRD2 P14416 8/20 0.40
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CCND2 P30279 1/20 0.38
CCND3 P30281 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
SCHEMBL2492521 0.92 KDR (0.49) IGF1RKDRCDK1EGFRFGFR1
SCHEMBL2489655 0.91 IGF1R (0.46) IGF1RKDRCDK1EGFRFGFR1
SCHEMBL2487273 0.91 KDR (0.49) IGF1RKDRCDK1FGFR1FGFR2
SCHEMBL13273572 0.91 KDR (0.49) IGF1RKDRCDK1FGFR1FGFR2
Hydrochloric Acid SCHEMBL2489646 0.90 KDR (0.48) IGF1RKDRCDK1FGFR1FGFR2
Hydrochloric Acid SCHEMBL2806717 0.90 KDR (0.48) IGF1RKDRCDK1FGFR1FGFR2
SCHEMBL2486918 0.89 FGFR1 (0.51) IGF1RKDRCDK1FGFR1FGFR2
SCHEMBL2806869 0.89 FGFR1 (0.51) IGF1RKDRCDK1FGFR1FGFR2
Hydrochloric Acid SCHEMBL2804799 0.88 FGFR1 (0.50) IGF1RKDRCDK1FGFR1FGFR2
Hydrochloric Acid SCHEMBL2489901 0.88 FGFR1 (0.50) IGF1RKDRCDK1FGFR1FGFR2

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 9 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

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 2484/4885KDR 1416/4885CDK1 318/4885

“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.