SCHEMBL4095980

SCHEMBL4095980

CCC(C(=O)O)(C1=C2NN(Cc3ccc(OC)cc3)C=C2NC(NCCc2ccc(C(F)(F)F)cc2Cl)=N1)c1cccnc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 3/20 0.33
CYP3A4 P08684 1/20 0.33
DGAT2 Q96PD7 3/20 0.32
LMNA P02545 2/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MC4R P32245 1/20 0.32
NPBWR1 P48145 1/20 0.31
PPARG P37231 1/20 0.31
RAF1 P04049 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CHEK1 O14757 1/20 0.31

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
SCHEMBL4709530 0.84 CYP3A4 (0.34) PTGDRCYP3A4DGAT2LMNATP53
SCHEMBL4095778 0.67 CRHR1 (0.36) PTGDRMEN1KMT2A
SCHEMBL4095982 0.64 CYP3A4 (0.35) CYP3A4LMNATP53MAPTAKR1C3
SCHEMBL4271062 0.58 ACP1 (0.39) LMNATP53MAPTAKR1C3AKR1C2
SCHEMBL4007916 0.54 FFAR1 (0.58) MAPT
SCHEMBL28343740 0.53 SMN1; SMN2 (0.57) CYP3A4LMNAMAPTMEN1KMT2A
SCHEMBL10666574 0.53 CYP19A1 (0.45) CYP3A4LMNAMAPTMEN1KMT2A
SCHEMBL1581284 0.53 ACP1 (0.53) CYP3A4LMNATP53MAPTMEN1
SCHEMBL18255073 0.52 TRPV1 (0.48) LMNAMEN1KMT2A
SCHEMBL8909656 0.52 GPR132 (0.47) LMNAMAPTMEN1KMT2A

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 PTGDR 171/4885CYP3A4 372/4885DGAT2 4710/4885

“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.