SCHEMBL2802672

SCHEMBL2802672

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
GBA1 P04062 1/20 0.37
CCR5 P51681 1/20 0.37
MGLL Q99685 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
CCNT1 O60563 1/20 0.36
CDK1 P06493 1/20 0.36

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
SCHEMBL2806016 0.90 MEN1 (0.40) MEN1KMT2ACCNT1CDK1CCNB1
SCHEMBL2807741 0.90 ALDH1A1 (0.41) MEN1KMT2AALDH1A1GBA1CCNT1
SCHEMBL2806646 0.90 HDAC3 (0.43) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL2802631 0.90 TSHR (0.43) MEN1KMT2AALDH1A1HPGDCYP1A2
SCHEMBL2804055 0.90 MEN1 (0.40) MEN1KMT2ALMNAMAPTHTT
SCHEMBL2805749 0.90 HDAC3 (0.46) MEN1KMT2AALDH1A1LMNACYP2C9
SCHEMBL2803443 0.89 TSHR (0.41) ALDH1A1KDM4ELMNAGBA1JAK2
SCHEMBL2806545 0.88 PKM (0.43) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL2805582 0.87 CCNT1 (0.41) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL2807424 0.87 L3MBTL1 (0.43) KMT2AKDM4ECYP1A2POLBCYP2C19

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 662/4885ALDH1A1 510/4885

“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.