SCHEMBL2806689

SCHEMBL2806689

N#Cc1cccc(NC(=O)N2CCC3(CC2)Cc2cnc(NCc4c(Cl)cccc4Cl)nc2-c2ccccc23)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.44
CACNA1H O95180 2/20 0.43
CYP1A2 P05177 7/20 0.43
CYP2D6 P10635 3/20 0.43
TSHR P16473 3/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPK1 P28482 7/20 0.43
CYP3A4 P08684 10/20 0.42
ALDH1A1 P00352 8/20 0.42
USP2 O75604 5/20 0.42
CYP2C19 P33261 3/20 0.42
CYP2C9 P11712 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.40

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
SCHEMBL2806685 1.00 HIF1A (0.44) HIF1ACACNA1HCYP1A2CYP2D6TSHR
SCHEMBL2808563 0.89 HIF1A (0.51) HIF1ACYP1A2CYP2D6TSHRHSD17B10
SCHEMBL2808567 0.89 HIF1A (0.51) HIF1ACYP1A2CYP2D6TSHRHSD17B10
SCHEMBL2805692 0.89 HIF1A (0.45) HIF1ACACNA1HCYP1A2CYP2D6TSHR
SCHEMBL2805688 0.89 HIF1A (0.45) HIF1ACACNA1HCYP1A2CYP2D6TSHR
SCHEMBL2805060 0.85 MAPK1 (0.44) HIF1ACYP1A2CYP2D6TSHRHSD17B10
SCHEMBL2805062 0.85 MAPK1 (0.44) HIF1ACYP1A2CYP2D6TSHRHSD17B10
SCHEMBL2809461 0.84 MAPK1 (0.43) HIF1ACYP1A2CYP2D6TSHRHSD17B10
SCHEMBL2809456 0.84 MAPK1 (0.43) HIF1ACYP1A2CYP2D6TSHRHSD17B10
SCHEMBL2804414 0.82 HIF1A (0.42) HIF1ACACNA1HCYP1A2CYP2D6TSHR

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 HIF1A 835/4885CACNA1H 4329/4885CYP1A2 612/4885

“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.