SCHEMBL5157438

SCHEMBL5157438

CC1CC1Nc1cc(Cl)nc(N)n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 1/20 0.45
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 3/20 0.43
POLA1 P09884 1/20 0.43
OPRK1 P41145 1/20 0.41
HRH4 Q9H3N8 2/20 0.40
NUDT1 P36639 2/20 0.40
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL15757238 0.77 OPRK1 (0.56) CYP2D6CYP2C19MAPTSMN1; SMN2POLB
SCHEMBL3198284 0.77 PDGFRB (0.44) CYP2D6CYP2C19KMT2APOLA1OPRK1
SCHEMBL3198280 0.77 PDGFRB (0.44) CYP2D6CYP2C19KMT2APOLA1OPRK1
SCHEMBL17315333 0.76 KMT2A (0.47) CYP2D6CYP2C19KMT2APOLA1OPRK1
SCHEMBL9873035 0.76 CYP2D6 (0.52) CYP2D6CYP2C19MAPTSMN1; SMN2POLB
SCHEMBL9470712 0.75 CYP2D6 (0.48) CYP2D6CYP2C19MAPTSMN1; SMN2POLB
SCHEMBL13153722 0.75 NUDT1 (0.59) CYP2D6CYP2C19MAPTSMN1; SMN2POLB
SCHEMBL1316806 0.75 NUDT1 (0.64) CYP2D6CYP2C19KMT2APOLA1OPRK1
SCHEMBL17315347 0.74 NUDT1 (0.72) CYP2D6HRH4NUDT1HSP90AA1HSP90AB1
SCHEMBL9872475 0.74 CYP2D6 (0.47) CYP2D6CYP2C19MAPTSMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966162-B1 PYRIMIDINE DERIVATIVES ZIARCO PHARMA LTD (GB) 2017-03-15 EP disclosed
US-20070185075-A1 Pyrimidine derivatives PFIZER LIMITED 2007-08-09 US 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-20070185075-A1 Pyrimidine derivatives TYMS, DPYD, TYMP CYP2D6 179/4885CYP2C19 177/4885MAPT 3183/4885

“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.