SCHEMBL9944000

SCHEMBL9944000

COc1ccc(CCNc2nc(-c3ncncc3F)cc(=O)n2C)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.49
▸ MAPT P10636 4/20 0.49
▸ PKM P14618 1/20 0.49
▸ GSK3B P49841 2/20 0.46
▸ LMNA P02545 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ STAT3 P40763 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ HTT P42858 1/20 0.41

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
SCHEMBL5099651 0.81 GSK3B (0.70) SMN1; SMN2MAPTPKMGSK3BCYP1A2
SCHEMBL2402713 0.68 GSK3B (0.76) MAPTGSK3BCYP3A4MAPK1
SCHEMBL2404400 0.68 GSK3B (0.79) GSK3BCYP3A4
SCHEMBL9008399 0.68 SMN1; SMN2 (0.67) SMN1; SMN2MAPTLMNATSHRNPSR1
SCHEMBL9943968 0.67 CYP1A2 (0.41) GSK3BTSHRCYP1A2CYP3A4CYP2D6
SCHEMBL2403904 0.66 GSK3B (0.75) GSK3BCYP2D6
SCHEMBL5041844 0.66 GSK3B (0.78) GSK3B
SCHEMBL5105275 0.65 GSK3B (0.61) MAPTGSK3B
SCHEMBL13722027 0.65 GSK3B (0.55) SMN1; SMN2GSK3BCYP1A2CYP2D6
SCHEMBL2403556 0.65 GSK3B (0.70) GSK3BLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120220591-A1 PYRIMIDONE COMPOUNDS SANOFI (FR) 2012-08-30 — — US claimed
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-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 SMN1; SMN2 146/4885MAPT 1/4885PKM 187/4885

“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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