SCHEMBL2805692

SCHEMBL2805692

Cc1ccccc1CNc1ncc2c(n1)-c1ccccc1C1(CCN(C(=O)Nc3cccc(C#N)c3)CC1)C2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.45
GRIN2B Q13224 1/20 0.44
CYP1A2 P05177 5/20 0.44
CYP2D6 P10635 4/20 0.44
TSHR P16473 3/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPK1 P28482 6/20 0.43
ALDH1A1 P00352 7/20 0.43
CYP3A4 P08684 7/20 0.41
USP2 O75604 6/20 0.41
CYP2C19 P33261 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CACNA1H O95180 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
SCHEMBL2805688 1.00 HIF1A (0.45) HIF1AGRIN2BCYP1A2CYP2D6TSHR
SCHEMBL2808567 0.89 HIF1A (0.51) HIF1AGRIN2BCYP1A2CYP2D6TSHR
SCHEMBL2808563 0.89 HIF1A (0.51) HIF1AGRIN2BCYP1A2CYP2D6TSHR
SCHEMBL2806689 0.89 HIF1A (0.44) HIF1ACYP1A2CYP2D6TSHRHSD17B10
SCHEMBL2806685 0.89 HIF1A (0.44) HIF1ACYP1A2CYP2D6TSHRHSD17B10
SCHEMBL2805062 0.84 MAPK1 (0.44) HIF1ACYP1A2CYP2D6TSHRHSD17B10
SCHEMBL2805060 0.84 MAPK1 (0.44) HIF1ACYP1A2CYP2D6TSHRHSD17B10
SCHEMBL2809456 0.82 MAPK1 (0.43) HIF1ACYP1A2CYP2D6TSHRHSD17B10
SCHEMBL2809461 0.82 MAPK1 (0.43) HIF1ACYP1A2CYP2D6TSHRHSD17B10
SCHEMBL2804414 0.81 HIF1A (0.42) HIF1ACYP1A2CYP2D6TSHRHSD17B10

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 835/4885GRIN2B 2692/4885CYP1A2 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.