SCHEMBL2805295

SCHEMBL2805295

c1ccc2c(c1)-c1nc(NCCN3CCOCC3)ncc1CC21CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CCNA2 P20248 2/20 0.42
CDK2 P24941 2/20 0.42
CCNA1 P78396 2/20 0.42
MKNK1 Q9BUB5 3/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
STAT3 P40763 1/20 0.40
JAK3 P52333 1/20 0.40
LMNA P02545 3/20 0.40
TRIM33 Q9UPN9 2/20 0.40
TRIM24 O15164 1/20 0.40
CYP3A4 P08684 5/20 0.39
CYP1A2 P05177 4/20 0.39
CYP2D6 P10635 4/20 0.39
CYP2C19 P33261 3/20 0.39
HIF1A Q16665 3/20 0.39
TSHR P16473 3/20 0.39

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
SCHEMBL2804601 0.92 CCNA2 (0.39) CCNA2CDK2CCNA1HIF1AALDH1A1
SCHEMBL2803259 0.88 TSHR (0.39) MEN1KMT2ALMNACYP3A4CYP1A2
SCHEMBL2802084 0.85 MKNK1 (0.39) CCNA2CDK2CCNA1MKNK1MALT1
SCHEMBL2803978 0.85 MKNK1 (0.39) CCNA2CDK2CCNA1MKNK1MALT1
SCHEMBL2805355 0.81 RIPK2 (0.45) CYP3A4HIF1AMERTK
SCHEMBL2806007 0.81 TLR9 (0.40)
SCHEMBL2802929 0.80 HDAC3 (0.41) LMNACYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL2806912 0.79 HTR7 (0.36) ALDH1A1
SCHEMBL2804032 0.79 HPGD (0.40) MERTK
SCHEMBL2805814 0.79 KDR (0.31)

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 7 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
WO-2010078421-A1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F] ISOQUINOLIN-2-AMINE COMPOUNDS ARQULE, INC. (US) 2010-07-08 WO 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 MEN1 2137/4885KMT2A 662/4885CCNA2 104/4885

“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.