SCHEMBL2111472

SCHEMBL2111472

Cc1ccc(CCl)c(C)c1F

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PON1 P27169 1/20 0.36
P2RX7 Q99572 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL1434378 0.84 P2RX7 (0.35) PON1P2RX7HTR2AHTR2CHTR2B
SCHEMBL21577569 0.81 P2RX7 (0.33) P2RX7
SCHEMBL31414091 0.78
SCHEMBL2495516 0.78 PON1 (0.43) PON1
SCHEMBL1019627 0.77 PON1 (0.35) PON1
Ammonia Solution, Strong SCHEMBL136349 0.76 PON1 (0.46) PON1
Phosphine SCHEMBL15203731 0.76 PON1 (0.42) PON1
SCHEMBL1337533 0.74 PON1 (0.37) PON1
SCHEMBL8343195 0.73 MPO (0.38) P2RX7
SCHEMBL14989943 0.73 RIPK1 (0.30)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101541811-B Pyrazolopyrimidine Derivatives DAIICHI SANKYO CO LTD 2014-07-09 CN disclosed
US-8158638-B2 Pyrazolopyrimidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-04-17 US disclosed
US-20100113410-A1 PYRAZOLOPYRIMIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-05-06 US disclosed
CN-101541811-A Pyrazolopyrimidine Derivatives DAIICHI SANKYO CO LTD (JP) 2009-09-23 CN disclosed
EP-2065388-A1 PYRAZOLOPYRIMIDINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-06-03 EP 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-20100113410-A1 PYRAZOLOPYRIMIDINE DERIVATIVE HSP90AB1, HSP90B1, HSP90AA1 PON1 2766/4885P2RX7 2142/4885HTR2A 4478/4885

“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.