SCHEMBL2681706

SCHEMBL2681706

C#Cc1cccc(CN(C(C)=O)c2cc(-c3nnn[nH]3)ccc2F)c1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 15/20 0.71
CYP3A4 P08684 1/20 0.38
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2C8 P10632 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
HAO1 Q9UJM8 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
SCHEMBL2680165 0.88 PTGDR2 (0.74) PTGDR2
SCHEMBL951448 0.73 PTGDR2 (0.40) PTGDR2
SCHEMBL2680544 0.71 PTGDR2 (0.72) PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL2680387 0.70 PTGDR2 (0.73) PTGDR2
SCHEMBL2681424 0.70 PTGDR2 (0.49) PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL16720117 0.70 HAO1 (0.38) MEN1KMT2AHAO1
SCHEMBL952651 0.68 PTGDR2 (0.69) PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL2680465 0.68 PTGDR2 (0.73) PTGDR2MEN1KMT2ACYP2C8CYP2C9
SCHEMBL2680643 0.67 PTGDR2 (0.73) PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL2682009 0.67 PTGDR2 (0.49) PTGDR2CYP2C8CYP2C9CYP2C19HAO1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115869-A1 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2012-05-10 US disclosed
US-20120115869-A1 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2012-05-10 US disclosed
US-20120115869-A1 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2012-05-10 US disclosed
WO-2011006935-A2 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2011-01-20 WO 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-20120115869-A1 TETRAZOLE DERIVATIVES TSLP, IL5, CMA1 PTGDR2 548/4885CYP3A4 40/4885MEN1 2816/4885

“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.