SCHEMBL4308914

SCHEMBL4308914

Cc1nn(-c2ccc(C#N)c(Cl)c2)c(C)c1Cc1ccccc1C(=O)NC1CCCC1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.71
P2RX7 Q99572 1/20 0.47
NR3C1 P04150 1/20 0.46
CNR1 P21554 5/20 0.44
CNR2 P34972 5/20 0.44
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL4238454 0.97 AR (0.73) ARP2RX7NR3C1
SCHEMBL4231299 0.88 AR (0.81) AR
SCHEMBL4234702 0.86 AR (0.76) AR
SCHEMBL4238320 0.86 AR (0.75) ARP2RX7
SCHEMBL4300584 0.85 AR (0.77) ARCNR1CNR2
SCHEMBL4240950 0.85 AR (0.76) ARNR3C1
SCHEMBL4302462 0.85 AR (0.76) AR
SCHEMBL4301511 0.85 AR (0.72) ARP2RX7CNR1CNR2MEN1
SCHEMBL4304830 0.84 AR (0.72) AR
SCHEMBL4241282 0.84 AR (0.72) 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 681/4885NR3C1 65/4885

“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.