SCHEMBL2803684

SCHEMBL2803684

Nc1ncc2c(n1)-c1ccccc1[C@@H](c1ccccc1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 1.00
FGFR2 P21802 1/20 1.00
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
CYP19A1 P11511 1/20 0.43
CYP11B2 P19099 1/20 0.43
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
DHFR P00374 1/20 0.39
HSP90AA1 P07900 1/20 0.39
PIK3CD O00329 1/20 0.38
PIK3R1 P27986 1/20 0.38
ADORA1 P30542 7/20 0.38
ADORA2A P29274 4/20 0.38
AURKA O14965 1/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL2804089 1.00 FGFR1 (1.00) FGFR1FGFR2KDM4EALDH1A1POLB
SCHEMBL2801922 1.00 FGFR1 (1.00) FGFR1FGFR2KDM4EALDH1A1POLB
SCHEMBL2804017 0.92 FGFR1 (0.85) FGFR1FGFR2KDM4EALDH1A1POLB
SCHEMBL2491790 0.87 FGFR1 (0.77) FGFR1FGFR2KDM4EALDH1A1POLB
SCHEMBL2489807 0.84 FGFR1 (0.72) FGFR1FGFR2KDM4EALDH1A1POLB
SCHEMBL2489649 0.84 FGFR1 (0.72) FGFR1FGFR2KDM4EALDH1A1POLB
SCHEMBL2487628 0.84 FGFR1 (0.72) FGFR1FGFR2KDM4EALDH1A1POLB
SCHEMBL2802921 0.84 FGFR1 (0.72) FGFR1FGFR2KDM4EALDH1A1POLB
SCHEMBL2802926 0.84 FGFR1 (0.72) FGFR1FGFR2KDM4EALDH1A1POLB
SCHEMBL2804727 0.82 FGFR1 (0.69) FGFR1FGFR2KDM4EALDH1A1POLB

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 FGFR1 530/4885FGFR2 511/4885KDM4E 679/4885

“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.