SCHEMBL2805459

SCHEMBL2805459

c1ccc(Nc2ncc3c(n2)-c2ccccc2C(c2ccccc2)C3)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.65
FGFR2 P21802 2/20 0.65
KDR P35968 5/20 0.54
CDK2 P24941 6/20 0.53
CCNA2 P20248 5/20 0.53
CSF1R P07333 1/20 0.50
FGFR3 P22607 1/20 0.50
EGFR P00533 1/20 0.46
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
IKBKB O14920 2/20 0.45
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PLK1 P53350 1/20 0.43
CDK4 P11802 2/20 0.42
CCND3 P30281 1/20 0.42

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
SCHEMBL2808076 0.92 CCNA2 (0.56) FGFR1FGFR2KDRCDK2CCNA2
SCHEMBL2804947 0.92 FGFR1 (0.56) FGFR1FGFR2KDRCDK2CCNA2
SCHEMBL2808381 0.90 FGFR1 (0.57) FGFR1FGFR2KDRCDK2CCNA2
SCHEMBL2804423 0.89 FGFR1 (0.56) FGFR1FGFR2KDRCDK2CCNA2
SCHEMBL2805227 0.87 FGFR1 (0.54) FGFR1FGFR2KDRCDK2CCNA2
SCHEMBL2802896 0.87 FGFR1 (0.54) FGFR1FGFR2KDRCDK2CCNA2
SCHEMBL2802713 0.87 FGFR1 (0.64) FGFR1FGFR2KDRCDK2CCNA2
SCHEMBL2806014 0.87 KDR (0.51) FGFR1FGFR2KDRCDK2CCNA2
SCHEMBL2490169 0.87 FGFR1 (0.50) FGFR1FGFR2KDRCDK2CCNA2
SCHEMBL2806446 0.87 FGFR1 (0.50) FGFR1FGFR2KDRCDK2CCNA2

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 3 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-20100239525-A1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F]ISOQUINOLIN-2-AMINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US 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 511/4885KDR 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.