Sugi Predict

Sugi Predict / Compounds / SCHEMBL2805218

SCHEMBL2805218

SCHEMBL2805218

CNc1ncc2c(n1)-c1ccccc1C1(CCN(C(=O)c3ccc(C#N)cc3)CC1)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKLR P30613 1/20 0.39
▸ SLC6A7 Q99884 1/20 0.39
▸ FASN P49327 2/20 0.39
▸ MKNK1 Q9BUB5 4/20 0.38
▸ MKNK2 Q9HBH9 4/20 0.38
▸ CYP3A4 P08684 4/20 0.38
▸ NOS1 P29475 2/20 0.37
▸ NOS2 P35228 2/20 0.37
▸ DDR1 Q08345 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ CCNA2 P20248 2/20 0.37
▸ CDK2 P24941 2/20 0.37
▸ NAMPT P43490 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ JAK3 P52333 1/20 0.37

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
SCHEMBL2805220 1.00 PKLR (0.39) PKLRSLC6A7FASNMKNK1MKNK2
SCHEMBL2802612 0.91 CCNT1 (0.41) CYP3A4SMN1; SMN2CCNA2CDK2NAMPT
SCHEMBL2802615 0.91 CCNT1 (0.41) CYP3A4SMN1; SMN2CCNA2CDK2NAMPT
SCHEMBL2802255 0.90 CYP1A2 (0.43) CYP3A4CCNA2CDK2CYP1A2CDK1
SCHEMBL2802169 0.89 MAPT (0.43) SLC6A7CCNA2CDK2
SCHEMBL2803489 0.88 CYP1A2 (0.46) PKLRCYP3A4CCNA2CDK2CYP1A2
SCHEMBL2802920 0.88 KDM4E (0.46) CYP3A4CYP2D6CCNA2CDK2CYP1A2
SCHEMBL2802903 0.88 FGFR4 (0.44) NAMPTJAK2
SCHEMBL2802905 0.88 FGFR4 (0.44) NAMPTJAK2
SCHEMBL2803732 0.87 ALDH1A1 (0.49) CYP3A4SMN1; SMN2CYP2D6USP2CYP1A2

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 PKLR 2848/4885SLC6A7 620/4885FASN 1597/4885

“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.