SCHEMBL4099005

SCHEMBL4099005

CCN(c1nc(-c2c(F)cccc2OC)c2nn(Cc3ccc(OC)cc3)cc2n1)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.35
THRB P10828 2/20 0.34
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CNR2 P34972 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
NPBWR1 P48145 2/20 0.33
POLB P06746 1/20 0.32
BACE1 P56817 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
MAP4K1 Q92918 1/20 0.32
PPARD Q03181 1/20 0.32
DHFR P00374 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL4100808 0.86 NPC1 (0.34) TP53
SCHEMBL4090468 0.85 MAPT (0.39) TP53THRBMAPTCNR2NPBWR1
SCHEMBL4105507 0.84 GRIN1 (0.42) MAPTCNR2NPBWR1GRIN1GRIN2B
SCHEMBL4101183 0.82 TP53 (0.35) TP53THRBMAPTMEN1KMT2A
SCHEMBL4096300 0.82 P2RX7 (0.37) TP53MAPTMEN1KMT2ANPBWR1
SCHEMBL4102167 0.80 TP53 (0.37) TP53THRBMAPTCNR2NPBWR1
SCHEMBL4090436 0.78 SYK (0.39) TP53THRBMAPTMEN1KMT2A
SCHEMBL4091530 0.77 MAP4K1 (0.38) MAPTMAP4K1DHFR
SCHEMBL4102486 0.75 MAPT (0.34) TP53MAPTCNR2BACE1LMNA
SCHEMBL4098171 0.73 NPBWR1 (0.32) TP53MAPTCNR2NPBWR1BACE1

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 3977/4885THRB 531/4885MAPT 3587/4885

“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.