SCHEMBL2805997

SCHEMBL2805997

CCCN1CCC(Nc2ncc3c(n2)-c2ccccc2C(c2ccc(F)cc2)C3)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.44
FGFR2 P21802 2/20 0.44
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
CSF1R P07333 1/20 0.39
FGFR3 P22607 1/20 0.39
MAPK7 Q13164 1/20 0.38
CDK2 P24941 4/20 0.38
CCNA2 P20248 2/20 0.38
CCNA1 P78396 2/20 0.38
DRD2 P14416 4/20 0.37
SLC6A4 P31645 2/20 0.37
CYP3A4 P08684 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36

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 0.92 FGFR1 (0.44) FGFR1FGFR2ROCK2ROCK1ACHE
SCHEMBL2806389 0.89 FGFR1 (0.49) FGFR1FGFR2ROCK2ROCK1CSF1R
SCHEMBL2802427 0.86 FGFR1 (0.51) FGFR1FGFR2ACHEBACE1CSF1R
SCHEMBL2803945 0.85 CDK2 (0.43) FGFR1FGFR2ROCK2ROCK1MAPK7
SCHEMBL2803454 0.85 FGFR1 (0.50) FGFR1FGFR2CSF1RFGFR3CDK2
SCHEMBL2804944 0.85 FGFR1 (0.50) FGFR1FGFR2CSF1RFGFR3CDK2
SCHEMBL2802238 0.81 FGFR1 (0.53) FGFR1FGFR2ROCK2ROCK1ACHE
SCHEMBL2803188 0.79 FGFR1 (0.44) FGFR1FGFR2CSF1RFGFR3MAPK8
SCHEMBL2806590 0.78 FGFR1 (0.49) FGFR1FGFR2CSF1RFGFR3CDK2
SCHEMBL2806559 0.78 FGFR1 (0.45) FGFR1FGFR2CSF1RFGFR3SLC6A4

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 FGFR1 530/4885FGFR2 511/4885ROCK2 1087/4885

“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.