SCHEMBL17979804

SCHEMBL17979804

CNc1cc(N2CCCC2CC(C)C)nc(N)n1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 6/20 0.52
HRH4 Q9H3N8 12/20 0.47
EGLN2 Q96KS0 1/20 0.44
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 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
SCHEMBL20114232 0.85 NUDT1 (0.55) NUDT1HRH4KCNH2HRH3
SCHEMBL18019806 0.85 NUDT1 (0.55) NUDT1HRH4KCNH2HRH3
SCHEMBL18019876 0.85 NUDT1 (0.55) NUDT1HRH4KCNH2HRH3
SCHEMBL17979752 0.85 NUDT1 (0.55) NUDT1HRH4KCNH2HRH3
SCHEMBL18019761 0.83 NUDT1 (0.52) NUDT1
SCHEMBL18019760 0.83 NUDT1 (0.52) NUDT1HRH4KCNH2HRH3
SCHEMBL18019759 0.83 NUDT1 (0.52) NUDT1
SCHEMBL17979799 0.81 NUDT1 (0.56) NUDT1HRH4KCNH2HRH3
SCHEMBL28174091 0.81 NUDT1 (0.50) NUDT1
SCHEMBL18019758 0.78 NUDT1 (0.47) NUDT1HRH4

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 8 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
EP-3256132-A1 PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Merck Patent GmbH (DE) 2017-12-20 EP claimed
WO-2016128140-A1 PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER MERCK PATENT GMBH (DE) 2016-08-18 WO claimed
US-20180118721-A1 PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2018-05-03 US disclosed
US-20180118721-A1 PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2018-05-03 US disclosed
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 NUDT1 10/4885HRH4 2404/4885EGLN2 2646/4885

“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.