SCHEMBL2492528

SCHEMBL2492528

CC(C)(C)OC(=O)N1CCCC(Nc2ncc3c(n2)-c2ccccc2C(c2ccc(Cl)c(Cl)c2)C3)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.45
MAPK8 P45983 6/20 0.44
MAPK9 P45984 6/20 0.44
MAPK10 P53779 6/20 0.44
CDK2 P24941 6/20 0.44
JUN P05412 5/20 0.44
USP30 Q70CQ3 3/20 0.44
MAPK3 P27361 2/20 0.41
CCNK O75909 3/20 0.40
CDK12 Q9NYV4 3/20 0.40
PIM1 P11309 2/20 0.40
PIM2 Q9P1W9 2/20 0.40
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
CCNT1 O60563 2/20 0.39
CCNE1 P24864 2/20 0.39
CDK9 P50750 2/20 0.39
CDK7 P50613 1/20 0.39
CCNH P51946 1/20 0.39
MNAT1 P51948 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
SCHEMBL2492527 1.00 MAPK1 (0.45) MAPK1MAPK8MAPK9MAPK10CDK2
SCHEMBL2492524 1.00 MAPK1 (0.45) MAPK1MAPK8MAPK9MAPK10CDK2
SCHEMBL2493168 1.00 MAPK1 (0.45) MAPK1MAPK8MAPK9MAPK10CDK2
SCHEMBL2493170 1.00 MAPK1 (0.45) MAPK1MAPK8MAPK9MAPK10CDK2
SCHEMBL2488139 0.91 MAPK8 (0.46) MAPK1MAPK8MAPK9MAPK10CDK2
SCHEMBL16360384 0.90 MAPK10 (0.44) MAPK1MAPK8MAPK9MAPK10CDK2
SCHEMBL16360406 0.90 MAPK10 (0.44) MAPK1MAPK8MAPK9MAPK10CDK2
SCHEMBL2489034 0.87 CDK2 (0.41) MAPK8MAPK9MAPK10CDK2JUN
SCHEMBL13126036 0.84 MAPK3 (0.37) MAPK1MAPK3CCNKCDK12CCNT1
SCHEMBL2802842 0.82 CNR1 (0.49) MAPK1MAPK8MAPK9MAPK10CDK2

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 5 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
EP-2379506-A1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F]ISOQUINOLIN-2-AMINE COMPOUNDS ArQule, Inc. (US) 2011-10-26 EP 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 MAPK1 2878/4885MAPK8 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.