SCHEMBL2806014

SCHEMBL2806014

Clc1ccccc1C1Cc2cnc(Nc3ccccc3)nc2-c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.51
CCNA2 P20248 4/20 0.50
CDK2 P24941 4/20 0.50
FGFR1 P11362 2/20 0.50
FGFR2 P21802 2/20 0.50
CSF1R P07333 1/20 0.50
FGFR3 P22607 1/20 0.50
IGF1R P08069 3/20 0.48
EGFR P00533 1/20 0.48
PLK1 P53350 2/20 0.45
IKBKB O14920 1/20 0.42
JAK2 O60674 1/20 0.42
LRRK2 Q5S007 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
AURKA O14965 1/20 0.41

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
SCHEMBL2806202 0.88 FGFR1 (0.46) KDRCCNA2CDK2FGFR1FGFR2
SCHEMBL2805459 0.87 FGFR1 (0.65) KDRCCNA2CDK2FGFR1FGFR2
SCHEMBL2805594 0.87 FGFR1 (0.48) KDRCCNA2CDK2FGFR1FGFR2
SCHEMBL2806618 0.87 FGFR1 (0.48) KDRCCNA2CDK2FGFR1FGFR2
SCHEMBL2808076 0.86 CCNA2 (0.56) KDRCCNA2CDK2FGFR1FGFR2
SCHEMBL2802713 0.86 FGFR1 (0.64) KDRCCNA2CDK2FGFR1FGFR2
SCHEMBL2490169 0.86 FGFR1 (0.50) KDRCCNA2CDK2FGFR1FGFR2
SCHEMBL2806446 0.86 FGFR1 (0.50) KDRCCNA2CDK2FGFR1FGFR2
SCHEMBL2490173 0.86 FGFR1 (0.50) KDRCCNA2CDK2FGFR1FGFR2
SCHEMBL2804984 0.85 FGFR1 (0.44) KDRCCNA2CDK2FGFR1FGFR2

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 KDR 1416/4885CCNA2 104/4885CDK2 43/4885

“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.