SCHEMBL4098171

SCHEMBL4098171

CCN(c1nc2c(c(-c3c(O)cccc3F)n1)NN(Cc1ccc(OC)cc1)C2)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 2/20 0.32
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
CNR2 P34972 1/20 0.31
BACE1 P56817 1/20 0.30

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
SCHEMBL4709531 0.76 CYP3A4 (0.35) NPBWR1LMNATP53MAPTBACE1
SCHEMBL4095982 0.76 CYP3A4 (0.35) NPBWR1LMNATP53MAPTAKR1C3
SCHEMBL4105507 0.73 GRIN1 (0.42) NPBWR1MAPTAKR1C3AKR1C2CNR2
SCHEMBL4098170 0.73 AKR1C3 (0.33) NPBWR1LMNATP53MAPTAKR1C3
SCHEMBL4102174 0.72 NR1H2 (0.33)
SCHEMBL4090468 0.68 MAPT (0.39) NPBWR1LMNATP53MAPTCNR2
SCHEMBL4710336 0.67 SLC40A1 (0.34)
SCHEMBL4091530 0.67 MAP4K1 (0.38) MAPT
SCHEMBL4101972 0.66 CRHR1 (0.33)
SCHEMBL4100808 0.66 NPC1 (0.34) TP53

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 1 patent. 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

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 128/4885LMNA 4743/4885TP53 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.