SCHEMBL9944027

SCHEMBL9944027

Cn1c(S)nc(-c2ncncc2F)cc1=O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 7/20 0.41
▸ CYP3A4 P08684 5/20 0.41
▸ TSHR P16473 2/20 0.41
▸ CLK4 Q9HAZ1 2/20 0.41
▸ HSD17B10 Q99714 3/20 0.39
▸ USP2 O75604 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ GSK3B P49841 6/20 0.34
▸ CYP2D6 P10635 2/20 0.33

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
SCHEMBL9943968 0.83 CYP1A2 (0.41) CYP1A2CYP3A4TSHRCLK4HSD17B10
SCHEMBL83123 0.76 GSK3B (0.50) CYP1A2GSK3BCYP2D6
SCHEMBL137966 0.74 GSK3B (0.60) GSK3BCYP2D6
SCHEMBL9943993 0.70 GSK3B (0.49) CYP1A2GSK3BCYP2D6
SCHEMBL1673943 0.68 GSK3B (0.52) CYP1A2CLK4GSK3BCYP2D6
SCHEMBL9944000 0.67 SMN1; SMN2 (0.49) CYP1A2CYP3A4TSHRGSK3BCYP2D6
SCHEMBL844040 0.63 KDM4E (0.40) TSHRHSD17B10ALDH1A1
SCHEMBL17382565 0.62 MAPT (0.42) CYP1A2CYP3A4TSHRHSD17B10
SCHEMBL81975 0.62 RXFP1 (0.38) GSK3B
SCHEMBL696759 0.61 BACE1 (0.41) CLK4ALDH1A1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940738-B2 Pyrimidone compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-01-27 — — US disclosed
US-8940738-B2 Pyrimidone compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-01-27 — — US disclosed
US-20120220591-A1 PYRIMIDONE COMPOUNDS SANOFI (FR) 2012-08-30 — — US disclosed
US-20120220591-A1 PYRIMIDONE COMPOUNDS SANOFI (FR) 2012-08-30 — — US disclosed
EP-2464639-A1 PYRIMIDONE DERIVATIVES USED AS TAU PROTEIN KINASE 1 INHIBITORS Mitsubishi Tanabe Pharma Corporation (JP) 2012-06-20 — — 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-20120220591-A1 PYRIMIDONE COMPOUNDS MAPT, PRNP, PSEN1 CYP1A2 2029/4885CYP3A4 3607/4885TSHR 1965/4885

“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.

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