SCHEMBL2804601

SCHEMBL2804601

c1ccc2c(c1)-c1nc(NCCN3CCCC3)ncc1CC21CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 3/20 0.39
CDK2 P24941 3/20 0.39
CCNA1 P78396 3/20 0.39
FYN P06241 1/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
HIF1A Q16665 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
IKBKB O14920 1/20 0.33
CHUK O15111 1/20 0.33
FLT3 P36888 1/20 0.33
TYRO3 Q06418 1/20 0.33
MERTK Q12866 1/20 0.33
GAS6 Q14393 1/20 0.33
APAF1 O14727 1/20 0.33
NPC1 O15118 1/20 0.33
NSD2 O96028 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL2802084 0.94 MKNK1 (0.39) CCNA2CDK2CCNA1FYNHRH3
SCHEMBL2803978 0.94 MKNK1 (0.39) CCNA2CDK2CCNA1FYNHRH3
SCHEMBL2805295 0.92 MEN1 (0.42) CCNA2CDK2CCNA1HIF1AMERTK
SCHEMBL2803259 0.90 TSHR (0.39) CA1CA2CA9HIF1AALDH1A1
SCHEMBL2806912 0.82 HTR7 (0.36) ALDH1A1
SCHEMBL2804032 0.82 HPGD (0.40) FLT3TYRO3MERTKGAS6HPGD
SCHEMBL2805814 0.81 KDR (0.31)
SCHEMBL2804670 0.81 KDM4E (0.40) FLT3TYRO3MERTKGAS6MAPT
SCHEMBL2804238 0.81 TRIM58 (0.36) IKBKBFLT3TYRO3MERTKGAS6
SCHEMBL2803960 0.80 KDR (0.37) CCNA2CDK2MERTKMAPTKDM4E

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 CCNA2 104/4885CDK2 43/4885CCNA1 168/4885

“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.