SCHEMBL4101100

SCHEMBL4101100

COc1ccc(Cn2cc3nc(Nc4ccc(C(F)(F)F)cc4Cl)nc(OCc4ccccc4)c3n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 2/20 0.38
LMNA P02545 1/20 0.38
ACP1 P24666 3/20 0.37
NPBWR1 P48145 2/20 0.37
APP P05067 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
BACE1 P56817 1/20 0.36
CYP19A1 P11511 1/20 0.35
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35

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 0.81 TP53 (0.37) MAPTTP53LMNANPBWR1CNR1
SCHEMBL4096300 0.79 P2RX7 (0.37) P2RX7MAPTTP53LMNANPBWR1
SCHEMBL4096867 0.77 CNR1 (0.47) TP53LMNAALDH1A1CNR1CNR2
SCHEMBL4271062 0.70 ACP1 (0.39) MAPTTP53LMNAACP1KDM4E
SCHEMBL463581 0.69 MAPT (0.46) MAPTACP1NPBWR1
SCHEMBL25206891 0.68 ADORA3 (0.39) MAPTTP53CNR1CNR2CYP19A1
SCHEMBL14320862 0.68 GRIN1 (0.48) MAPTTP53NPBWR1APP
SCHEMBL4090468 0.67 MAPT (0.39) MAPTTP53LMNANPBWR1KDM4E
SCHEMBL4090345 0.66 NPBWR1 (0.44) P2RX7NPBWR1APPLRRK2
SCHEMBL15650508 0.66 TP53 (0.41) MAPTTP53NPBWR1NPC1RAB9A

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 P2RX7 267/4885MAPT 3587/4885TP53 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.