SCHEMBL2803732

SCHEMBL2803732

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 1/20 0.49
USP2 O75604 6/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
HSD17B10 Q99714 4/20 0.45
CYP2C9 P11712 4/20 0.45
TSHR P16473 4/20 0.45
HPGD P15428 3/20 0.45
CYP1A2 P05177 3/20 0.45
MAPK1 P28482 2/20 0.45
CYP3A4 P08684 7/20 0.45
CYP2D6 P10635 4/20 0.45
HIF1A Q16665 1/20 0.43
NPY5R Q15761 1/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL2805702 0.92 SLC6A7 (0.42) ALDH1A1KDM4EUSP2SMN1; SMN2HSD17B10
SCHEMBL2802776 0.91 LMNA (0.47) ALDH1A1KDM4EHPGDNPY5R
SCHEMBL2802255 0.91 CYP1A2 (0.43) ALDH1A1CYP1A2MAPK1CYP3A4CYP2C19
SCHEMBL2802169 0.90 MAPT (0.43) ALDH1A1KDM4EHPGDMAPT
SCHEMBL2802920 0.89 KDM4E (0.46) ALDH1A1KDM4ECYP2C9HPGDCYP1A2
SCHEMBL2803489 0.89 CYP1A2 (0.46) ALDH1A1KDM4ECYP1A2CYP3A4NPY5R
SCHEMBL2804119 0.89 LRRK2 (0.45) ALDH1A1KDM4ETSHR
SCHEMBL2802240 0.88 HTR1A (0.47) ALDH1A1USP2HSD17B10TSHRHPGD
SCHEMBL13273931 0.88 NPY5R (0.49) ALDH1A1KDM4EUSP2SMN1; SMN2CYP2C9
SCHEMBL2805218 0.87 PKLR (0.39) USP2SMN1; SMN2CYP2C9TSHRCYP1A2

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 5 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

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 ALDH1A1 510/4885KDM4E 679/4885USP2 4369/4885

“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.