SCHEMBL2805732

SCHEMBL2805732

N#Cc1c(NC(=O)OCCc2ccc(C(F)(F)F)cc2)ncc2c1-c1ccccc1C(c1ccc(Cl)c(Cl)c1)C2

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.32
SLC6A3 Q01959 1/20 0.31
FGFR1 P11362 1/20 0.31
TRPM8 Q7Z2W7 3/20 0.31
THRB P10828 1/20 0.30
MEN1 O00255 3/20 0.30
KMT2A Q03164 3/20 0.30
POLB P06746 1/20 0.30
CHRM3 P20309 1/20 0.30
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL2806256 0.93 S1PR1 (0.34) MEN1KMT2ACHRM3
SCHEMBL13273730 0.93 MEN1 (0.34) CHEK1TRPM8MEN1KMT2AALDH1A1
SCHEMBL2805160 0.88 ALDH1A1 (0.34) KMT2ACHRM3ALDH1A1
SCHEMBL2805222 0.87 CHEK1 (0.32) CHEK1SLC6A3CHRM3
SCHEMBL2804693 0.86 ALDH1A1 (0.36) SLC6A3ALDH1A1
SCHEMBL2801866 0.86 SMN1; SMN2 (0.35) SLC6A3MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL2802547 0.86 RAB9A (0.35) SLC6A3MEN1KMT2AALDH1A1
SCHEMBL2803313 0.85 SLC6A2 (0.31) SLC6A3CHRM3
SCHEMBL2803902 0.85 CYP2C19 (0.34) SLC6A3ALDH1A1L3MBTL1
SCHEMBL2802828 0.85 ALDH1A1 (0.34) SLC6A3MEN1KMT2AALDH1A1

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
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 CHEK1 1021/4885SLC6A3 707/4885FGFR1 530/4885

“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.