SCHEMBL2805636

SCHEMBL2805636

CNc1ncc2c(n1)-c1ccccc1C1(CCN(C(=O)Nc3cccc(Cl)c3)CC1)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 3/20 0.47
NPSR1 Q6W5P4 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.45
RECQL P46063 1/20 0.45
MAPT P10636 5/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
HTT P42858 2/20 0.44
CYP2D6 P10635 1/20 0.44
FAAH O00519 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43

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
SCHEMBL2805633 1.00 NPY5R (0.47) NPY5RNPSR1MEN1KMT2AALDH1A1
SCHEMBL2805381 0.91 ALDH1A1 (0.46) NPY5RNPSR1ALDH1A1MAPTFAAH
SCHEMBL2805386 0.91 ALDH1A1 (0.46) NPY5RNPSR1ALDH1A1MAPTFAAH
SCHEMBL2804422 0.91 NPY5R (0.47) NPY5RMEN1KMT2AALDH1A1LMNA
SCHEMBL2804420 0.91 NPY5R (0.47) NPY5RMEN1KMT2AALDH1A1LMNA
SCHEMBL2802649 0.90 NPY5R (0.43) NPY5RALDH1A1CYP1A2CYP2C19CYP2D6
SCHEMBL2802647 0.90 NPY5R (0.43) NPY5RALDH1A1CYP1A2CYP2C19CYP2D6
SCHEMBL2805080 0.90 ALDH1A1 (0.48) NPY5RALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2805082 0.90 ALDH1A1 (0.48) NPY5RALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2805978 0.89 MAPT (0.46) NPY5RMAPTLMNAMAPK1

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 3 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-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 NPY5R 617/4885NPSR1 3420/4885MEN1 2137/4885

“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.