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SCHEMBL2805160

SCHEMBL2805160

COc1ccc(CCOC(=O)Nc2ncc3c(c2C#N)-c2ccccc2C(c2ccc(Cl)c(Cl)c2)C3)cc1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MCHR1 Q99705 2/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MAPT P10636 4/20 0.33
▸ MAPK1 P28482 3/20 0.33
▸ CHRM5 P08912 2/20 0.33
▸ CHRM1 P11229 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ CDK8 P49336 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33

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
SCHEMBL2803262 0.91 CHEK1 (0.36) SMN1; SMN2KDM4ECHRM3NPC1RAB9A
SCHEMBL2804693 0.88 ALDH1A1 (0.36) ALDH1A1KCNH2LMNA
SCHEMBL2805732 0.88 CHEK1 (0.32) ALDH1A1KMT2ACHRM3
SCHEMBL2805222 0.87 CHEK1 (0.32) SMN1; SMN2MAPTHTTCHRM3KCNH2
SCHEMBL2806246 0.87 CYP1A2 (0.39) SMN1; SMN2
SCHEMBL2803313 0.87 SLC6A2 (0.31) CHRM3KCNH2
SCHEMBL2806256 0.86 S1PR1 (0.34) SMN1; SMN2KMT2AMAPTKDM4EHPGD
SCHEMBL2803902 0.86 CYP2C19 (0.34) ALDH1A1SMN1; SMN2MAPTKDM4EHPGD
SCHEMBL2802547 0.86 RAB9A (0.35) ALDH1A1SMN1; SMN2KMT2AMAPTHTT
SCHEMBL2803831 0.85 LMNA (0.33) ALDH1A1SMN1; SMN2KMT2AMAPTHTT

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
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 ALDH1A1 510/4885SMN1; SMN2 1444/4885MCHR1 4427/4885

“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.