SCHEMBL4098170

SCHEMBL4098170

CCN(C1=NC(c2c(O)cccc2F)=C2NN(Cc3ccc(OC)cc3)C=C2N1)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
NPBWR1 P48145 2/20 0.32
CYP3A4 P08684 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 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
SCHEMBL4098171 0.73 NPBWR1 (0.32) AKR1C3AKR1C2NPBWR1LMNATP53
SCHEMBL4105507 0.64 GRIN1 (0.42) AKR1C3AKR1C2NPBWR1MAPT
SCHEMBL4090468 0.60 MAPT (0.39) NPBWR1LMNATP53MAPT
SCHEMBL4091530 0.58 MAP4K1 (0.38) MAPT
SCHEMBL29088121 0.53 MRGPRX4 (0.59)
SCHEMBL30080032 0.52 DAO (0.46) L3MBTL1MAPT
SCHEMBL3985328 0.52 IGF1R (0.39) L3MBTL1LMNA
SCHEMBL18164564 0.51 MAOB (0.59) L3MBTL1MAPT
SCHEMBL25407647 0.51 HSP90AA1 (0.55) AKR1C3NPBWR1MAPT
SCHEMBL8624597 0.51 PTGER4 (0.51) AKR1C3AKR1C2NPBWR1MAPT

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 AKR1C3 491/4885AKR1C2 655/4885NPBWR1 128/4885

“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.