SCHEMBL13806438

SCHEMBL13806438

Cc1ccc(CNC(=O)c2c(NC(=O)c3ccccc3)c(C)nn2C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ RAB9A P51151 4/20 0.54
▸ LMNA P02545 2/20 0.54
▸ GALR3 O60755 1/20 0.54
▸ NR2F2 P24468 1/20 0.54
▸ PTGER4 P35408 1/20 0.52
▸ MAPK14 Q16539 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ NAMPT P43490 1/20 0.48
▸ ALPL P05186 1/20 0.47
▸ ALPI P09923 1/20 0.47
▸ ALPG P10696 1/20 0.47
▸ MEN1 O00255 5/20 0.47
▸ POLB P06746 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ MCL1 Q07820 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ BLM P54132 1/20 0.47

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
SCHEMBL4281248 0.90 RAB9A (0.55) KMT2ASMN1; SMN2RAB9ALMNAGALR3
SCHEMBL13806436 0.85 KMT2A (0.58) KMT2ASMN1; SMN2RAB9ALMNAGALR3
SCHEMBL13806437 0.82 LMNA (0.58) KMT2ASMN1; SMN2RAB9ALMNAGALR3
SCHEMBL9302673 0.78 MAPK14 (0.75) KMT2ASMN1; SMN2LMNAMAPK14MEN1
SCHEMBL4288438 0.77 EPHX2 (0.56) KMT2ASMN1; SMN2RAB9ALMNAGALR3
SCHEMBL4281554 0.74 KMT2A (0.54) KMT2ASMN1; SMN2RAB9ALMNAGALR3
SCHEMBL178366 0.72 MAPK14 (0.75) KMT2ASMN1; SMN2RAB9ALMNAMAPK14
SCHEMBL20445356 0.71 LMNA (0.56) KMT2ASMN1; SMN2RAB9ALMNANAMPT
SCHEMBL1767434 0.71 HDAC1 (0.60) KMT2ASMN1; SMN2RAB9ALMNAMAPK14
SCHEMBL29520232 0.70 LMNA (1.00) KMT2ASMN1; SMN2RAB9ALMNAGALR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156582-A1 Pyrazole Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 — — 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-20090156582-A1 Pyrazole Compound GSK3B, GSK3A, GSKIP KMT2A 871/4885SMN1; SMN2 4064/4885RAB9A 291/4885

“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.

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