SCHEMBL2806483

SCHEMBL2806483

Clc1ccc([C@@H]2Cc3cnc(Nc4ccc(CCN5CCCCC5)cc4)nc3-c3ccccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.50
CDK1 P06493 9/20 0.50
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
FGFR1 P11362 2/20 0.42
FGFR2 P21802 2/20 0.42
CSF1R P07333 1/20 0.42
FGFR3 P22607 1/20 0.42
IGF1R P08069 2/20 0.42
AXL P30530 1/20 0.41
RET P07949 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
GRM5 P41594 1/20 0.39
FLT3 P36888 1/20 0.39
TYRO3 Q06418 1/20 0.39
MERTK Q12866 1/20 0.39
GAS6 Q14393 1/20 0.39

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
SCHEMBL2802944 1.00 KDR (0.50) KDRCDK1CCNA2CDK2FGFR1
Hydrochloric Acid SCHEMBL2806782 0.99 KDR (0.49) KDRCDK1CCNA2CDK2FGFR1
Hydrochloric Acid SCHEMBL2806781 0.99 KDR (0.49) KDRCDK1CCNA2CDK2FGFR1
SCHEMBL14644898 0.92 KDR (0.50) KDRCDK1CCNA2CDK2FGFR1
SCHEMBL13273580 0.92 KDR (0.50) KDRCDK1CCNA2CDK2FGFR1
SCHEMBL2489982 0.92 CDK1 (0.50) KDRCDK1CCNA2CDK2FGFR1
SCHEMBL2489984 0.92 CDK1 (0.50) KDRCDK1CCNA2CDK2FGFR1
SCHEMBL2804649 0.91 CDK1 (0.49) KDRCDK1FGFR1FGFR2CSF1R
SCHEMBL2488857 0.91 CDK1 (0.49) KDRCDK1FGFR1FGFR2CSF1R
SCHEMBL2490000 0.91 CDK1 (0.49) KDRCDK1FGFR1FGFR2CSF1R

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
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
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 KDR 1416/4885CDK1 318/4885CCNA2 104/4885

“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.