SCHEMBL2805019

SCHEMBL2805019

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
GABRA4 P48169 1/20 0.43
HPGD P15428 2/20 0.42
HTR1A P08908 2/20 0.39
CCNT1 O60563 2/20 0.38
CDK1 P06493 2/20 0.38
CCNB1 P14635 2/20 0.38
CCNA2 P20248 2/20 0.38
CDK2 P24941 2/20 0.38
CDK7 P50613 2/20 0.38
CDK9 P50750 2/20 0.38
CCNH P51946 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM3 P20309 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
SCHEMBL2802255 0.91 CYP1A2 (0.43) HTR1ACDK1CCNB1CCNA2CDK2
SCHEMBL2806326 0.90 CYP2C19 (0.48) HPGDHTR1ACHRM2CHRM3PDK2
SCHEMBL2802572 0.90 MAPK1 (0.48) HPGDCYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL17057525 0.90 PDK2 (0.38) HPGDHTR1ACCNT1CDK1CCNB1
SCHEMBL2802169 0.90 MAPT (0.43) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL2802776 0.90 LMNA (0.47) HPGDLMNAUBE2MDCUN1D1ALDH1A1
SCHEMBL2802240 0.88 HTR1A (0.47) HPGDHTR1APDK2LMNAGAA
SCHEMBL2802615 0.88 CCNT1 (0.41) CCNT1CDK1CCNB1CCNA2CDK2
SCHEMBL2802612 0.88 CCNT1 (0.41) CCNT1CDK1CCNB1CCNA2CDK2
SCHEMBL2805737 0.88 CYP3A4 (0.45) HPGDPDK2LMNACYP3A4GAA

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 GABRD 4202/4885GABRA1 3891/4885GABRB1 3230/4885

“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.