SCHEMBL68135

SCHEMBL68135

c1ccc(-c2nc(-c3ccncc3)cs2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 1.00
AR P10275 2/20 1.00
KMT2A Q03164 2/20 1.00
RAB9A P51151 8/20 0.72
CYP19A1 P11511 6/20 0.72
NPC1 O15118 3/20 0.72
ALDH1A1 P00352 2/20 0.72
SMN1; SMN2 Q16637 7/20 0.69
LMNA P02545 3/20 0.69
SREBF2 Q12772 1/20 0.69
AXL P30530 1/20 0.61
PBRM1 Q86U86 1/20 0.61
MKNK1 Q9BUB5 1/20 0.61
MKNK2 Q9HBH9 1/20 0.61
MEN1 O00255 1/20 0.58
POLB P06746 1/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
PKM P14618 1/20 0.58
HPGD P15428 1/20 0.58

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
SCHEMBL13480645 1.00 KDM4E (1.00) KDM4EARKMT2ARAB9ACYP19A1
SCHEMBL12601865 0.96 KDM4E (0.93) KDM4EARKMT2ARAB9ACYP19A1
SCHEMBL2781370 0.92 KDM4E (0.85) KDM4EARKMT2ARAB9ACYP19A1
SCHEMBL11213828 0.90 SREBF2 (0.82) KDM4EARKMT2ARAB9ACYP19A1
SCHEMBL11215130 0.90 SREBF2 (0.82) KDM4EARKMT2ARAB9ACYP19A1
SCHEMBL11212983 0.90 SREBF2 (0.82) KDM4EARKMT2ARAB9ACYP19A1
SCHEMBL11464717 0.88 SREBF2 (0.79) KDM4EARKMT2ARAB9ACYP19A1
SCHEMBL17014786 0.84 CYP19A1 (1.00) KDM4EARKMT2ARAB9ACYP19A1
SCHEMBL7495850 0.84 RAB9A (1.00) KDM4EARKMT2ARAB9ACYP19A1
SCHEMBL30128572 0.84 CYP19A1 (1.00) KDM4EARKMT2ARAB9ACYP19A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014172639-A1 RAF KINASE INHIBITORS RUGA CORPORATION (US) 2014-10-23 WO disclosed
US-8865732-B2 Heterocyclic compounds and uses thereof NOVARTIS AG (CH) 2014-10-21 US disclosed
CN-102015686-B Novel heterocyclic compounds and uses therof NOVARTIS AG 2014-07-02 CN disclosed
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof NOVARTIS AG (CH) 2013-08-15 US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
CN-102015686-A Novel heterocyclic compounds and uses therof NOVARTIS AG 2011-04-13 CN disclosed
EP-2274300-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF Novartis AG (CH) 2011-01-19 EP disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US disclosed
WO-2009115572-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF NOVARTIS AG (CH) 2009-09-24 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 (2 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-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS KDM4E 3041/4885AR 3762/4885KMT2A 2016/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS KDM4E 2526/4885AR 3602/4885KMT2A 1690/4885

“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.