SCHEMBL2803020

SCHEMBL2803020

CN1CCN(C2CCN(c3ncc4c(n3)-c3ccccc3C3(CCNCC3)C4)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
ACVR1 Q04771 10/20 0.35
ALDH1A1 P00352 5/20 0.35
CYP1A2 P05177 5/20 0.35
CASP1 P29466 5/20 0.35
CASP7 P55210 5/20 0.35
USP2 O75604 4/20 0.35
CYP2C9 P11712 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HIF1A Q16665 3/20 0.35
HSD17B10 Q99714 3/20 0.35
GLA P06280 1/20 0.35
TSHR P16473 1/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2C19 P33261 3/20 0.35
LMNA P02545 2/20 0.35
BMPR1B O00238 1/20 0.34
BMPR1A P36894 1/20 0.34

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
SCHEMBL2803911 0.96 HTR3A (0.35) HTR3AHRH4ACVR1ALDH1A1CYP1A2
SCHEMBL2807816 0.83 ALDH1A1 (0.32) HTR3AHRH4ALDH1A1CYP1A2CASP1
SCHEMBL2805709 0.81 CYP11B2 (0.37) ALDH1A1CYP1A2CASP1CASP7USP2
SCHEMBL2805991 0.81 TSHR (0.42) ALDH1A1CYP1A2CASP1CASP7USP2
SCHEMBL2804452 0.80 MTOR (0.34) ALDH1A1MEN1KMT2AHIF1ATSHR
SCHEMBL2805621 0.78 ALDH1A1 (0.40) ALDH1A1CYP1A2CASP1CASP7USP2
SCHEMBL2805444 0.77 ADRB2 (0.41) CYP3A4
SCHEMBL2805783 0.77 ALDH1A1 (0.36) ALDH1A1CYP1A2USP2CYP2C9MEN1
SCHEMBL2804165 0.77 KDM4E (0.41) HRH4ACVR1ALDH1A1HSD17B10TP53
SCHEMBL2804073 0.76 LMNA (0.43) HTR3AALDH1A1HSD17B10TSHRLMNA

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 HTR3A 1305/4885HRH4 931/4885ACVR1 4315/4885

“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.