SCHEMBL4301400

SCHEMBL4301400

Cc1nn(-c2ccc(C#N)cc2)c(C)c1COc1nc(F)c(F)cc1F

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.54
SLC34A1 Q06495 7/20 0.42
SMO Q99835 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
P2RX7 Q99572 2/20 0.34
EIF2AK4 Q9P2K8 1/20 0.34

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
SCHEMBL4309189 0.85 AR (0.59) AR
SCHEMBL4242393 0.84 AR (0.57) ARSLC34A1SMOMEN1KMT2A
SCHEMBL4305368 0.81 AR (0.60) ARSLC34A1SMOMEN1KMT2A
SCHEMBL4230109 0.81 AR (0.56) ARSLC34A1SMOP2RX7
SCHEMBL4233150 0.80 AR (0.60) ARSLC34A1SMOMEN1KMT2A
SCHEMBL4233511 0.80 AR (0.70) ARSLC34A1SMOP2RX7
SCHEMBL4239307 0.80 AR (0.60) ARSLC34A1SMOP2RX7
SCHEMBL4239402 0.80 AR (0.55) ARSLC34A1SMOP2RX7
SCHEMBL4299115 0.80 AR (0.60) ARSLC34A1SMOP2RX7
SCHEMBL4240860 0.78 AR (0.53) ARSLC34A1

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 3 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

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 1375/4885SMO 675/4885

“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.