SCHEMBL4095982

SCHEMBL4095982

CCN(c1nc2c(c(C(CC)(C(=O)O)c3cccnc3)n1)NN(Cc1ccc(OC)cc1)C2)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.35
LMNA P02545 2/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
NR1H2 P55055 5/20 0.32
NR1H3 Q13133 5/20 0.32
NPBWR1 P48145 2/20 0.32
CXCR3 P49682 1/20 0.32
RORC P51449 1/20 0.31
MMP1 P03956 2/20 0.31
MMP9 P14780 2/20 0.31
MMP13 P45452 2/20 0.31
ADAM17 P78536 2/20 0.31
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 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 0.84 CYP3A4 (0.35) CYP3A4LMNATP53MAPTNR1H2
SCHEMBL4095782 0.76 NR1H2 (0.34) LMNANR1H2NR1H3RORC
SCHEMBL4090468 0.65 MAPT (0.39) LMNATP53MAPTNPBWR1
SCHEMBL4095980 0.64 PTGDR (0.33) CYP3A4LMNATP53MAPTNPBWR1
SCHEMBL4105507 0.61 GRIN1 (0.42) MAPTNPBWR1GPBAR1AKR1C3AKR1C2
SCHEMBL4102486 0.60 MAPT (0.34) CYP3A4LMNATP53MAPT
SCHEMBL4095773 0.58 PDE2A (0.38) CYP3A4RORC
SCHEMBL4095778 0.58 CRHR1 (0.36) RORC
SCHEMBL4096314 0.57 GSK3A (0.38) LMNAMAPT
SCHEMBL4106287 0.55 SMN1; SMN2 (0.35) CYP3A4LMNAMAPTGPBAR1

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 CYP3A4 372/4885LMNA 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.