Sugi Predict

Sugi Predict / Compounds / SCHEMBL2802169

SCHEMBL2802169

SCHEMBL2802169

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ RCE1 Q9Y256 1/20 0.43
▸ HTR1A P08908 2/20 0.42
▸ GABRD O14764 1/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ GABRB1 P18505 1/20 0.39
▸ GABRA5 P31644 1/20 0.39
▸ GABRA3 P34903 1/20 0.39
▸ GABRA2 P47869 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ GABRA4 P48169 1/20 0.39
▸ CCNA2 P20248 5/20 0.38
▸ CDK2 P24941 5/20 0.38
▸ KDR P35968 1/20 0.38
▸ PDK2 Q15119 1/20 0.38
▸ CCNA1 P78396 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 0.93 CYP1A2 (0.43) ALDH1A1GAAHTR1ACCNA2CDK2
SCHEMBL2802920 0.92 KDM4E (0.46) MAPTKDM4EALDH1A1HPGDHTR1A
SCHEMBL2803489 0.92 CYP1A2 (0.46) KDM4EALDH1A1HTR1ACCNA2CDK2
SCHEMBL2805019 0.90 GABRD (0.43) KDM4EALDH1A1GAAHPGDHTR1A
SCHEMBL2803732 0.90 ALDH1A1 (0.49) MAPTKDM4EALDH1A1HPGD
SCHEMBL2809555 0.89 CRBN (0.42) CCNA2CDK2
SCHEMBL2804723 0.89 EPHX2 (0.43) ALDH1A1HPGDCCNA2CDK2PDK2
SCHEMBL2805218 0.89 PKLR (0.39) CCNA2CDK2SLC6A7
SCHEMBL2805702 0.89 SLC6A7 (0.42) KDM4EALDH1A1GAAHPGDHTR1A
SCHEMBL2805220 0.89 PKLR (0.39) CCNA2CDK2SLC6A7

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
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

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 MAPT 1884/4885KDM4E 679/4885ALDH1A1 510/4885

“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.