SCHEMBL4090468

SCHEMBL4090468

CCN(c1nc(Cl)c2nn(Cc3ccc(OC)cc3)cc2n1)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
CNR2 P34972 1/20 0.39
TP53 P04637 5/20 0.38
NPBWR1 P48145 2/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
THRB P10828 2/20 0.35
CRHR1 P34998 1/20 0.35
GRIN1 Q05586 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
SCHEMBL4102167 0.87 TP53 (0.37) MAPTCNR2TP53NPBWR1LMNA
SCHEMBL4099005 0.85 TP53 (0.35) MAPTCNR2TP53NPBWR1LMNA
SCHEMBL4101183 0.81 TP53 (0.35) MAPTCNR2TP53SMN1; SMN2THRB
SCHEMBL4102486 0.81 MAPT (0.34) MAPTCNR2TP53LMNA
SCHEMBL15650508 0.75 TP53 (0.41) MAPTTP53NPBWR1HSP90AA1HSP90AB1
SCHEMBL14320862 0.75 GRIN1 (0.48) MAPTTP53NPBWR1HSP90AA1HSP90AB1
SCHEMBL463581 0.74 MAPT (0.46) MAPTNPBWR1HSP90AA1HSP90AB1GRIN1
SCHEMBL4103108 0.71 TP53 (0.44) MAPTCNR2TP53HSP90AA1HSP90AB1
SCHEMBL15651398 0.71 TP53 (0.45) MAPTTP53KDM4ENPC1ALDH1A1
SCHEMBL4105507 0.71 GRIN1 (0.42) MAPTCNR2NPBWR1GRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090234117-A1 Pyrazolopyrimidine Derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-09-17 US disclosed
EP-1903045-A1 PYRAZOLOPYRIMIDINE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2008-03-26 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-20090234117-A1 Pyrazolopyrimidine Derivative MC2R, CRHR1, AVPR2 MAPT 3587/4885CNR2 136/4885TP53 3977/4885

“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.