SCHEMBL13137802

SCHEMBL13137802

Cc1nc(-c2cncc(N(C)CCOc3ccc(F)cc3)n2)sc1C(=O)NCc1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 8/20 0.55
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TSHR P16473 1/20 0.45
PPARA Q07869 1/20 0.44
HTR2C P28335 2/20 0.43
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
CHRM4 P08173 1/20 0.41
MMP13 P45452 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL3039123 0.93 SCD (0.58) SCDPPARA
SCHEMBL3035213 0.90 PPARA (0.50) SCDPPARALMNACHRM4MAPT
SCHEMBL13137804 0.87 SCD (0.54) SCDKDM4ESMN1; SMN2TDP1PPARA
SCHEMBL3041753 0.86 SCD (0.56) SCDKDM4ESMN1; SMN2TDP1PPARA
SCHEMBL3045647 0.83 TARBP2 (0.44) SCDKDM4ESMN1; SMN2PPARAHTR2C
SCHEMBL13137873 0.81 SCD (0.62) SCDKDM4ESMN1; SMN2TDP1TSHR
SCHEMBL3842367 0.81 GAA (0.41) SCDSMN1; SMN2PPARALMNAMAPK1
SCHEMBL3035817 0.81 LMNA (0.47) KDM4ESMN1; SMN2LMNAMEN1ALDH1A1
SCHEMBL3040893 0.80 SCD (0.60) SCDSMN1; SMN2PPARALMNAMAPT
SCHEMBL3038900 0.80 PPARA (0.53) SCDPPARALMNACHRM4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086970-B1 2-(PYRAZIN-2-YL)-THIAZOLE AND 2-(1H PYRAZOL-3-YL)-THIAZOLE DERIVATIVES AS WELL AS RELATED COMPOUNDS AS STEAROYL-COA DESATURASE (SCD) INHIBITORS FOR THE TREATMENT OF METABOLIC, CARDIOVASCULAR AND OTHER DISORDERS NOVARTIS AG (CH) 2014-02-26 EP disclosed
US-8314138-B2 Pyrazole derivative as SCD1 inhibitors for the treatment of diabetes NOVARTIS AG (CH) 2012-11-20 US disclosed
US-8314138-B2 Pyrazole derivative as SCD1 inhibitors for the treatment of diabetes NOVARTIS AG (CH) 2012-11-20 US disclosed
US-20100239520-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-09-23 US disclosed
US-20100239520-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 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-20100239520-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885KDM4E 683/4885SMN1; SMN2 3581/4885

“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.