SCHEMBL2802238

SCHEMBL2802238

c1ccc(CN2CCC(Nc3ncc4c(n3)-c3ccccc3C(c3ccccc3)C4)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.53
FGFR2 P21802 1/20 0.53
ACHE P22303 15/20 0.52
BACE1 P56817 8/20 0.48
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
MALT1 Q9UDY8 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
CXCR4 P61073 1/20 0.43
BCHE P06276 1/20 0.42

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
SCHEMBL2804861 0.85 FGFR1 (0.61) FGFR1FGFR2
SCHEMBL2805457 0.84 FGFR1 (0.60) FGFR1FGFR2
SCHEMBL2806784 0.84 FGFR1 (0.60) FGFR1FGFR2
SCHEMBL2802914 0.83 FGFR1 (0.44) FGFR1FGFR2ACHEBACE1ROCK2
SCHEMBL2805997 0.81 FGFR1 (0.44) FGFR1FGFR2ACHEBACE1ROCK2
SCHEMBL2802720 0.80 FGFR1 (0.48) FGFR1FGFR2
SCHEMBL2804795 0.80 FGFR1 (0.51) FGFR1FGFR2ACHEBACE1
SCHEMBL2808072 0.79 ADORA1 (0.50) FGFR1FGFR2
SCHEMBL2803945 0.78 CDK2 (0.43) FGFR1FGFR2ROCK2ROCK1
SCHEMBL2802427 0.78 FGFR1 (0.51) FGFR1FGFR2ACHEBACE1HRH3

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 6 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-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

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 FGFR1 530/4885FGFR2 511/4885ACHE 2505/4885

“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.