SCHEMBL2802615

SCHEMBL2802615

CNc1ncc2c(n1)-c1ccccc1C1(CCN(C(=O)c3cccc(C#N)c3)CC1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 3/20 0.41
CDK1 P06493 3/20 0.41
CCNB1 P14635 3/20 0.41
CCNA2 P20248 3/20 0.41
CDK2 P24941 3/20 0.41
CDK7 P50613 3/20 0.41
CDK9 P50750 3/20 0.41
CCNH P51946 3/20 0.41
CYP3A4 P08684 3/20 0.41
ALDH1A1 P00352 1/20 0.41
VNN1 O95497 4/20 0.40
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
ADORA2A P29274 2/20 0.40
USP2 O75604 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NAMPT P43490 2/20 0.39
CCNA1 P78396 1/20 0.39
GRM5 P41594 2/20 0.39
SCN5A Q14524 1/20 0.38

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
SCHEMBL2802612 1.00 CCNT1 (0.41) CCNT1CDK1CCNB1CCNA2CDK2
SCHEMBL2805218 0.91 PKLR (0.39) CCNT1CDK1CCNB1CCNA2CDK2
SCHEMBL2805220 0.91 PKLR (0.39) CCNT1CDK1CCNB1CCNA2CDK2
SCHEMBL2802776 0.88 LMNA (0.47) ALDH1A1
SCHEMBL2805019 0.88 GABRD (0.43) CCNT1CDK1CCNB1CCNA2CDK2
SCHEMBL2802255 0.88 CYP1A2 (0.43) CDK1CCNB1CCNA2CDK2CYP3A4
SCHEMBL2802572 0.87 MAPK1 (0.48) CYP3A4ALDH1A1USP2SMN1; SMN2TSHR
SCHEMBL2806326 0.87 CYP2C19 (0.48) CYP3A4ALDH1A1
SCHEMBL17057525 0.87 PDK2 (0.38) CCNT1CDK1CCNB1CCNA2CDK2
SCHEMBL2808563 0.87 HIF1A (0.51) CYP3A4ALDH1A1USP2SMN1; SMN2TSHR

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 CCNT1 224/4885CDK1 318/4885CCNB1 60/4885

“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.