SCHEMBL2808567

SCHEMBL2808567

CNc1ncc2c(n1)-c1ccccc1C1(CCN(C(=O)Nc3cccc(C#N)c3)CC1)C2

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.51
CYP1A2 P05177 5/20 0.49
CYP2D6 P10635 4/20 0.49
TSHR P16473 4/20 0.49
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 7/20 0.48
MAPK1 P28482 6/20 0.47
CYP3A4 P08684 9/20 0.46
USP2 O75604 7/20 0.46
CYP2C19 P33261 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP2C9 P11712 2/20 0.46
HPGD P15428 1/20 0.45
GRIN2B Q13224 1/20 0.44

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
SCHEMBL2808563 1.00 HIF1A (0.51) HIF1ACYP1A2CYP2D6TSHRHSD17B10
SCHEMBL2802903 0.91 FGFR4 (0.44) HIF1A
SCHEMBL2802905 0.91 FGFR4 (0.44) HIF1A
SCHEMBL2805692 0.89 HIF1A (0.45) HIF1ACYP1A2CYP2D6TSHRHSD17B10
SCHEMBL2805688 0.89 HIF1A (0.45) HIF1ACYP1A2CYP2D6TSHRHSD17B10
SCHEMBL2806689 0.89 HIF1A (0.44) HIF1ACYP1A2CYP2D6TSHRHSD17B10
SCHEMBL2806685 0.89 HIF1A (0.44) HIF1ACYP1A2CYP2D6TSHRHSD17B10
SCHEMBL2805381 0.88 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2
SCHEMBL2805386 0.88 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2
SCHEMBL2802647 0.88 NPY5R (0.43) CYP1A2CYP2D6TSHRALDH1A1CYP3A4

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 835/4885CYP1A2 612/4885CYP2D6 26/4885

“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.