SCHEMBL4090345

SCHEMBL4090345

COc1ccc(Cn2ncc3nc(Nc4ccc(C(F)(F)F)cc4Cl)nc(-c4c(F)cccc4OC)c32)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 5/20 0.44
GRIN1 Q05586 2/20 0.43
GRIN2B Q13224 2/20 0.43
P2RX7 Q99572 5/20 0.38
RAF1 P04049 1/20 0.37
LRRK2 Q5S007 1/20 0.37
APP P05067 1/20 0.37
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
BUB1 O43683 1/20 0.34
ABCG2 Q9UNQ0 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
SCHEMBL4096300 0.84 P2RX7 (0.37) NPBWR1P2RX7LRRK2APPABCG2
SCHEMBL4105507 0.82 GRIN1 (0.42) NPBWR1GRIN1GRIN2BRAF1AKR1C3
SCHEMBL4102442 0.80 GRIN1 (0.39) NPBWR1GRIN1GRIN2B
SCHEMBL4101100 0.66 P2RX7 (0.38) NPBWR1P2RX7LRRK2APP
SCHEMBL15606507 0.62 MEN1 (0.41) NPBWR1GRIN1GRIN2BP2RX7AKR1C3
SCHEMBL22775009 0.61 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL4091530 0.60 MAP4K1 (0.38)
Hydrochloric Acid SCHEMBL22775310 0.60 GRIN1 (0.98) GRIN1GRIN2B
Hydrochloric Acid SCHEMBL29525058 0.60 GRIN1 (0.98) GRIN1GRIN2B
SCHEMBL4090436 0.60 SYK (0.39)

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 NPBWR1 128/4885GRIN1 193/4885GRIN2B 172/4885

“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.