Sugi Predict

Sugi Predict / Compounds / SCHEMBL2804232

SCHEMBL2804232

SCHEMBL2804232

CNc1ncc2c(n1)-c1ccccc1C1(CCN(Cc3ccc(C#N)cc3)CC1)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 4/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ KDM1A O60341 1/20 0.39
▸ CYP3A4 P08684 5/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ CYP2C19 P33261 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TSHR P16473 4/20 0.39
▸ CYP2C9 P11712 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ SIGMAR1 Q99720 8/20 0.38
▸ CYP2D6 P10635 3/20 0.37
▸ USP1 O94782 1/20 0.37
▸ TP53 P04637 1/20 0.36

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
SCHEMBL2804234 1.00 USP2 (0.40) USP2CDK1KDRKDM1ACYP3A4
SCHEMBL2803924 0.90 DRD4 (0.42) CDK1KDRALDH1A1
SCHEMBL2803925 0.90 DRD4 (0.42) CDK1KDRALDH1A1
SCHEMBL2805415 0.90 SIGMAR1 (0.46) CYP3A4ALDH1A1CYP2C19MAPK1TSHR
SCHEMBL2805196 0.89 SIGMAR1 (0.50) KDRCYP3A4ALDH1A1CYP2C19MAPK1
SCHEMBL2802601 0.89 SIGMAR1 (0.47) KDRCYP3A4ALDH1A1CYP2C19TSHR
SCHEMBL2803730 0.88 SIGMAR1 (0.45) CYP3A4ALDH1A1CYP2C19TSHRCYP2C9
SCHEMBL2803126 0.86 SIGMAR1 (0.53) KDRALDH1A1SMN1; SMN2SIGMAR1
SCHEMBL2804117 0.85 SIGMAR1 (0.41) CYP3A4ALDH1A1CYP2C19TSHRCYP2C9
SCHEMBL2803944 0.85 SIGMAR1 (0.41) CYP3A4ALDH1A1CYP2C19TSHRCYP2C9

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
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-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 USP2 4369/4885CDK1 318/4885KDR 1416/4885

“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.