SCHEMBL2803945

SCHEMBL2803945

CCCN1CCC(Nc2ncc3c(n2)-c2ccccc2C(c2ccccc2Cl)C3)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 14/20 0.43
MAPK8 P45983 11/20 0.43
MAPK9 P45984 11/20 0.43
JUN P05412 10/20 0.43
MAPK10 P53779 7/20 0.43
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR7 P34969 1/20 0.41
HTR2B P41595 1/20 0.41
HTR3A P46098 1/20 0.41
HTR6 P50406 1/20 0.41
HTR4 Q13639 1/20 0.41
CCNT1 O60563 2/20 0.39
CCNK O75909 2/20 0.39
CCNE1 P24864 2/20 0.39
CDK9 P50750 2/20 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
SCHEMBL2802914 0.90 FGFR1 (0.44) CDK2MAPK8MAPK9JUNMAPK10
SCHEMBL2806389 0.89 FGFR1 (0.49) CDK2MAPK8MAPK9JUNMAPK10
SCHEMBL2805997 0.85 FGFR1 (0.44) CDK2MAPK8MAPK9JUNMAPK10
SCHEMBL2804983 0.85 ADORA1 (0.47) CDK2MAPK8MAPK9JUNCCNT1
SCHEMBL2806011 0.84 ADORA1 (0.49) CDK2MAPK8CCNT1CCNKCCNE1
SCHEMBL2808304 0.81 MAPK8 (0.51) CDK2MAPK8MAPK9JUNMAPK10
SCHEMBL2807020 0.79 FGFR1 (0.54) FGFR1FGFR2
SCHEMBL2802238 0.78 FGFR1 (0.53) ROCK2ROCK1FGFR1FGFR2
SCHEMBL2804113 0.77 FGFR1 (0.46) FGFR1FGFR2
SCHEMBL2804022 0.75 FGFR1 (0.43) HTR2AHTR2CHTR2BCCNKCDK12

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 8 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
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 CDK2 43/4885MAPK8 2998/4885MAPK9 2168/4885

“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.