SCHEMBL17979713

SCHEMBL17979713

C=CC(=O)Nc1ccc(CC(N)=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 10/20 0.61
▸ F13A1 P00488 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ TGM1 P22735 1/20 0.56
▸ TGM3 Q08188 1/20 0.56
▸ THRA P10827 1/20 0.55
▸ THRB P10828 1/20 0.55
▸ CA2 P00918 1/20 0.48
▸ KDM1A O60341 1/20 0.48
▸ FLT3 P36888 1/20 0.45
▸ DDAH1 O94760 1/20 0.44

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
SCHEMBL3997535 0.84 TGM2 (0.61) TGM2F13A1LMNATGM1TGM3
SCHEMBL16653882 0.82 TGM2 (0.59) TGM2F13A1LMNATGM1TGM3
SCHEMBL440756 0.82 TGM2 (0.63) TGM2F13A1LMNATGM1TGM3
SCHEMBL439369 0.81 TGM2 (0.79) TGM2F13A1LMNATGM1TGM3
SCHEMBL1191835 0.80 TGM2 (0.61) TGM2F13A1LMNATGM1TGM3
SCHEMBL16242100 0.80 TGM2 (0.61) TGM2F13A1LMNATGM1TGM3
SCHEMBL29718235 0.80 TGM2 (0.61) TGM2F13A1LMNATGM1TGM3
SCHEMBL12265208 0.79 THRA (0.63) TGM2F13A1LMNATGM1TGM3
SCHEMBL10012411 0.79 TGM2 (0.51) TGM2F13A1LMNATGM1TGM3
SCHEMBL25293287 0.79 TGM2 (0.59) TGM2F13A1LMNATGM1TGM3

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-20180118721-A1 PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2018-05-03 — — US claimed
US-20180118721-A1 PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2018-05-03 — — US disclosed
EP-3256132-A1 PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Merck Patent GmbH (DE) 2017-12-20 — — EP disclosed
WO-2016128140-A1 PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER MERCK PATENT GMBH (DE) 2016-08-18 — — 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-20180118721-A1 PYRIMIDINE DERIVATIVES MTHFD1, TYMS, DPYD TGM2 981/4885F13A1 2855/4885LMNA 3804/4885

“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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