Sugi Predict

Sugi Predict / Compounds / SCHEMBL2803489

SCHEMBL2803489

SCHEMBL2803489

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ NPY5R Q15761 1/20 0.40
▸ PDK2 Q15119 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HTR1A P08908 2/20 0.38
▸ CDK2 P24941 2/20 0.38
▸ CCNA2 P20248 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ CCNT1 O60563 1/20 0.37
▸ CCNE1 P24864 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ PKLR P30613 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ USP1 O94782 1/20 0.37
▸ HPGDS O60760 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
SCHEMBL2802255 0.92 CYP1A2 (0.43) CYP1A2CYP3A4ALDH1A1PDK2HTR1A
SCHEMBL2802169 0.92 MAPT (0.43) ALDH1A1KDM4EPDK2HTR1ACDK2
SCHEMBL2802920 0.91 KDM4E (0.46) CYP1A2CYP3A4HTTALDH1A1KDM4E
SCHEMBL2804723 0.90 EPHX2 (0.43) CYP1A2CYP3A4HTTALDH1A1NPY5R
SCHEMBL2802572 0.90 MAPK1 (0.48) CYP1A2CYP3A4ALDH1A1
SCHEMBL2803732 0.89 ALDH1A1 (0.49) CYP1A2CYP3A4ALDH1A1KDM4ENPY5R
SCHEMBL2809555 0.88 CRBN (0.42) CYP1A2CYP3A4HTTCDK2CCNA2
SCHEMBL2805702 0.88 SLC6A7 (0.42) CYP1A2CYP3A4HTTALDH1A1KDM4E
SCHEMBL2805218 0.88 PKLR (0.39) CYP1A2CYP3A4CDK2CCNA2CCNT1
SCHEMBL2805220 0.88 PKLR (0.39) CYP1A2CYP3A4CDK2CCNA2CCNT1

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 7 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
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 CYP1A2 612/4885CYP3A4 1058/4885HTT 957/4885

“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.