SCHEMBL4302858

SCHEMBL4302858

Cc1nn(-c2ccc(C#N)cc2)c(C)c1COc1ccc(C(N)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.52
PARP10 Q53GL7 4/20 0.49
PARP15 Q460N3 1/20 0.49
PARP2 Q9UGN5 1/20 0.49
SLC34A1 Q06495 2/20 0.47
CHEK2 O96017 1/20 0.43
P2RX7 Q99572 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HDAC3 O15379 1/20 0.41
PARP1 P09874 1/20 0.41
KDR P35968 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL4234713 0.90 MAPT (0.54) ARSLC34A1RAB9AALDH1A1MAPT
SCHEMBL4233150 0.89 AR (0.60) ARSLC34A1RAB9AALDH1A1MAPT
SCHEMBL4239332 0.87 AR (0.53) ARSLC34A1RAB9AALDH1A1
SCHEMBL4235688 0.85 AR (0.75) AR
SCHEMBL4237759 0.85 AR (0.56) ARSLC34A1RAB9AALDH1A1MAPT
SCHEMBL4235213 0.84 AR (0.71) ARPARP10PARP15PARP2SLC34A1
SCHEMBL4232172 0.83 AR (0.54) ARSLC34A1ALDH1A1MAPT
SCHEMBL4233511 0.83 AR (0.70) ARSLC34A1P2RX7
SCHEMBL4239003 0.83 AR (0.54) ARSLC34A1RAB9AALDH1A1
SCHEMBL4237455 0.81 AR (0.52) ARSLC34A1RAB9AALDH1A1

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 622/4885PARP10 3342/4885PARP15 1743/4885

“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.