SCHEMBL2804240

SCHEMBL2804240

CC(C)(C)C1[C@H](Nc2ncc3c(n2)-c2ccccc2[C@H](c2ccc(Cl)c(Cl)c2)C3)CCCN1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.37
FGFR2 P21802 1/20 0.37
ALDH1A1 P00352 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
MAPK1 P28482 6/20 0.33
HCRTR1 O43613 3/20 0.33
HCRTR2 O43614 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
SYK P43405 1/20 0.32

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
SCHEMBL2805602 1.00 FGFR1 (0.37) FGFR1FGFR2ALDH1A1SLC6A2SLC6A4
SCHEMBL16360406 0.81 MAPK10 (0.44) FGFR1FGFR2MAPK1JUNMAPK8
SCHEMBL16360384 0.81 MAPK10 (0.44) FGFR1FGFR2MAPK1JUNMAPK8
SCHEMBL2492524 0.79 MAPK1 (0.45) MAPK1JUNMAPK8MAPK9CDK2
SCHEMBL2493168 0.79 MAPK1 (0.45) MAPK1JUNMAPK8MAPK9CDK2
SCHEMBL2493170 0.79 MAPK1 (0.45) MAPK1JUNMAPK8MAPK9CDK2
SCHEMBL2492528 0.79 MAPK1 (0.45) MAPK1JUNMAPK8MAPK9CDK2
SCHEMBL2492527 0.79 MAPK1 (0.45) MAPK1JUNMAPK8MAPK9CDK2
SCHEMBL2489034 0.79 CDK2 (0.41) FGFR1FGFR2SLC6A2SLC6A4SLC6A3
SCHEMBL2488139 0.79 MAPK8 (0.46) ALDH1A1MAPK1MAPTHTTJUN

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 3 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-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 511/4885ALDH1A1 510/4885

“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.