SCHEMBL4240860

SCHEMBL4240860

Cc1nn(-c2ccc(C#N)cc2)c(C)c1COc1ccc(Br)cc1F

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.53
SLC34A1 Q06495 7/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
CCR5 P51681 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
PTGER1 P34995 1/20 0.36
PTGFR P43088 1/20 0.35
MAPK14 Q16539 1/20 0.35

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
SCHEMBL4299115 0.89 AR (0.60) ARSLC34A1MAPK14
SCHEMBL4242393 0.87 AR (0.57) ARSLC34A1
SCHEMBL4239003 0.83 AR (0.54) ARSLC34A1ALDH1A1LMNA
SCHEMBL4303853 0.83 AR (0.60) ARSLC34A1ALDH1A1LMNA
SCHEMBL4239307 0.83 AR (0.60) ARSLC34A1MAPK14
SCHEMBL4242503 0.81 AR (0.58) ARSLC34A1
SCHEMBL4239516 0.81 AR (0.58) ARSLC34A1ALDH1A1LMNA
SCHEMBL4305368 0.81 AR (0.60) ARSLC34A1
SCHEMBL4230109 0.80 AR (0.56) ARSLC34A1
SCHEMBL4233150 0.79 AR (0.60) ARSLC34A1ALDH1A1LMNAMAPT

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
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

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 1375/4885L3MBTL1 4183/4885

“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.