SCHEMBL3049262

SCHEMBL3049262

Cc1nc(-c2cn(CCc3ccc(F)cc3)nn2)sc1C(=O)NCc1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCD O00767 11/20 0.60
KDM4E B2RXH2 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
CHRM4 P08173 1/20 0.45
GLS O94925 2/20 0.45

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
SCHEMBL3056668 0.92 SCD (0.72) SCDKDM4ESMN1; SMN2TDP1POLB
SCHEMBL3049002 0.91 SCD (0.73) SCD
SCHEMBL13137814 0.88 SCD (0.55) SCDKDM4ESMN1; SMN2TDP1POLB
SCHEMBL3045392 0.84 SCD (0.84) SCDKDM4ESMN1; SMN2TDP1POLB
SCHEMBL13137914 0.84 SCD (0.55) SCDKDM4ESMN1; SMN2TDP1POLB
SCHEMBL3045565 0.84 SCD (0.61) SCDKDM4ESMN1; SMN2TDP1POLB
SCHEMBL3046898 0.83 SCD (0.69) SCDCHRM4
SCHEMBL3040175 0.82 SCD (0.62) SCDKDM4ESMN1; SMN2TDP1POLB
SCHEMBL3043064 0.82 SCD (0.65) SCDKDM4ESMN1; SMN2TDP1POLB
SCHEMBL13137917 0.82 SCD (0.52) SCDKDM4ESMN1; SMN2TDP1CHRM4

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
US-9358250-B2 Methods of using SCD1 antagonists GENENTECH, INC. (US) 2016-06-07 US disclosed
US-8258160-B2 SCD1 inhibitors triazole and tetrazole compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
US-8258160-B2 SCD1 inhibitors triazole and tetrazole compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
US-20100029722-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-04 US disclosed
US-20100029722-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-04 US disclosed
EP-2121671-A1 2-SUBSTITUTED 5-MEMBERED HETEROCYCLES AS SCD INHIBITORS Novartis AG (CH) 2009-11-25 EP disclosed
WO-2008074835-A1 2-SUBSTITUTED 5-MEMBERED HETEROCYCLES AS SCD INHIBITORS NOVARTIS AG (CH) 2008-06-26 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-20100029722-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.