SCHEMBL4241325

SCHEMBL4241325

Cc1nn(-c2ccc(C#N)cc2)c(C)c1C=O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.53
SLC34A1 Q06495 6/20 0.44
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
ALOX15 P16050 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NR3C1 P04150 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL15331391 0.85 MAPT (0.51) ARSLC34A1HTTLMNAMAPT
SCHEMBL27875396 0.82 ALDH1A1 (0.49) HTTLMNAALOX15MEN1KMT2A
SCHEMBL27950463 0.80 LMNA (0.50) ARHTTLMNAALOX15MEN1
SCHEMBL13739457 0.80 MAPT (0.51) HTTLMNAALOX15MEN1KMT2A
SCHEMBL4239043 0.80 NPC1 (0.49) HTTLMNAALOX15MEN1KMT2A
SCHEMBL1779819 0.79 HTT (0.64) HTTLMNAALOX15MEN1KMT2A
SCHEMBL30864227 0.78 AR (0.47) ARHTTLMNAALOX15
SCHEMBL4230809 0.78 AR (0.59) AR
SCHEMBL3321050 0.78 HTT (0.47) HTTLMNAALOX15MEN1KMT2A
SCHEMBL4296326 0.77 AR (0.58) ARSLC34A1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270361-A1 Substituted pyrazole derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
US-20090270361-A1 Substituted pyrazole derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
WO-2009119880-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-01 WO disclosed
WO-2009119880-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-01 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-20090270361-A1 Substituted pyrazole derivatives and use thereof CBR3, CBR1, NOX5 AR 622/4885SLC34A1 1375/4885HTT 3308/4885

“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.