SCHEMBL4102167

SCHEMBL4102167

CCN(c1nc(OCc2ccccc2)c2nn(Cc3ccc(OC)cc3)cc2n1)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.37
BACE1 P56817 1/20 0.35
CNR2 P34972 2/20 0.35
CNR1 P21554 1/20 0.35
MAPT P10636 2/20 0.34
DHFR P00374 1/20 0.34
CYP19A1 P11511 1/20 0.34
NPBWR1 P48145 1/20 0.34
THRB P10828 1/20 0.34
LMNA P02545 1/20 0.33
SLC2A1 P11166 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
PPARD Q03181 1/20 0.33

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
SCHEMBL4090468 0.87 MAPT (0.39) TP53CNR2MAPTNPBWR1THRB
SCHEMBL4101100 0.81 P2RX7 (0.38) TP53BACE1CNR2CNR1MAPT
SCHEMBL4099005 0.80 TP53 (0.35) TP53BACE1CNR2MAPTDHFR
SCHEMBL4101183 0.80 TP53 (0.35) TP53CNR2MAPTDHFRTHRB
SCHEMBL4102486 0.78 MAPT (0.34) TP53BACE1CNR2MAPTLMNA
SCHEMBL4096867 0.76 CNR1 (0.47) TP53CNR2CNR1CYP19A1LMNA
SCHEMBL4105507 0.67 GRIN1 (0.42) CNR2MAPTDHFRNPBWR1GRIN1
SCHEMBL463581 0.67 MAPT (0.46) MAPTNPBWR1GRIN1GRIN2B
SCHEMBL25206891 0.67 ADORA3 (0.39) TP53CNR2CNR1MAPTCYP19A1
SCHEMBL14320862 0.66 GRIN1 (0.48) TP53MAPTNPBWR1GRIN1GRIN2B

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 TP53 3977/4885BACE1 4090/4885CNR2 136/4885

“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.