Pyrimidine

Pyrimidine

SCHEMBL2218253

C=CC=O.c1cncnc1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
TRPA1 O75762 1/20 0.47
ALDH1A1 P00352 1/20 0.47
NAPRT Q6XQN6 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
Pyrimidine SCHEMBL9216454 0.84 TSHR (0.35) TSHRNAPRTTDP1
Pyridine SCHEMBL5859117 0.82 TSHR (0.53) TSHRTRPA1ALDH1A1NAPRTTDP1
Pyrimidine SCHEMBL27526411 0.77
Pyrimidine SCHEMBL19876786 0.77 TSHR (0.40) TSHRNAPRTTDP1
Pyrimidine SCHEMBL8355332 0.75
Pyrimidine SCHEMBL3709916 0.75
Pyrimidine SCHEMBL27645497 0.75
Pyrimidine SCHEMBL3163212 0.75
Pyrimidine SCHEMBL3705061 0.75
Pyrimidine SCHEMBL27891987 0.75

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-8394956-B2 Process for preparing pyrimidine propenaldehyde AUROBINDO PHARMA LTD. (IN) 2013-03-12 US disclosed
EP-2350025-A1 AN IMPROVED PROCESS FOR PREPARING PYRIMIDINE PROPENALDEHYDE Aurobindo Pharma Limited (IN) 2011-08-03 EP disclosed
US-20110178296-A1 Process for preparing pyrimidine propenaldehyde MALLELA SAMBHU PRASAD SARMA 2011-07-21 US disclosed
WO-2010038124-A1 AN IMPROVED PROCESS FOR PREPARING PYRIMIDINE PROPENALDEHYDE AUROBINDO PHARMA LIMITED (IN) 2010-04-08 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-20110178296-A1 Process for preparing pyrimidine propenaldehyde DPYD, NOX4, RPIA TSHR 4380/4885TRPA1 2216/4885ALDH1A1 36/4885

“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.