SCHEMBL4310043

SCHEMBL4310043

Cc1nn(-c2ccc(C#N)c(Cl)c2)c(C)c1Cc1ccc(C(=O)NCc2ccccn2)cc1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AR P10275 16/20 0.73
P2RX7 Q99572 1/20 0.57
KDM4E B2RXH2 1/20 0.48
DGAT2 Q96PD7 1/20 0.44
PTGER1 P34995 1/20 0.42

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
SCHEMBL13663644 0.92 AR (0.69) ARP2RX7KDM4EDGAT2PTGER1
SCHEMBL4300521 0.89 AR (0.79) ARP2RX7
Trifluoroacetic Acid SCHEMBL4236341 0.88 AR (0.62) ARP2RX7KDM4EDGAT2
SCHEMBL13663636 0.87 AR (0.69) ARP2RX7
SCHEMBL4237479 0.87 AR (0.77) AR
SCHEMBL4233559 0.86 AR (0.73) AR
SCHEMBL4296438 0.85 AR (0.71) ARP2RX7KDM4E
SCHEMBL4239054 0.85 AR (1.00) AR
SCHEMBL4241335 0.84 AR (1.00) AR
SCHEMBL4232524 0.84 AR (0.73) AR

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 622/4885P2RX7 681/4885KDM4E 2978/4885

“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.