SCHEMBL2118469

SCHEMBL2118469

Clc1nc(Cc2ccncc2)nc(Cl)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR6 P50406 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
CYP11B1 P15538 4/20 0.38
CYP11B2 P19099 3/20 0.38
CYP17A1 P05093 2/20 0.38
CYP19A1 P11511 1/20 0.38

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
SCHEMBL2116108 0.81 L3MBTL1 (0.51) CYP3A4ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL28818099 0.72 HTR6 (0.58) CYP3A4ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL29167045 0.72 HTR6 (0.58) CYP3A4ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL721736 0.71 CYP17A1 (0.61) CYP3A4ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL2118698 0.71 CYP17A1 (0.46) CYP3A4ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL13873567 0.69 CYP17A1 (0.65) CYP3A4ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL1981719 0.69 HTT (0.59) CYP3A4ALDH1A1MAPTCYP11B1CYP11B2
SCHEMBL2115442 0.68 CETP (0.42) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL20011841 0.67 MEN1 (0.49) CYP3A4CYP1A2CYP2D6CYP2C19MAPT
SCHEMBL8304705 0.67 CHEK1 (0.45) ALDH1A1MAPTHTTL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158787-B2 Process for producing trichloropyrimidine compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-17 US disclosed
US-20100160630-A1 PROCESS FOR PRODUCING TRICHLOROPYRIMIDINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-24 US disclosed
EP-2128141-A1 PROCESS FOR PRODUCING TRICHLOROPYRIMIDINE COMPOUND Sumitomo Chemical Company, Limited (JP) 2009-12-02 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-20100160630-A1 PROCESS FOR PRODUCING TRICHLOROPYRIMIDINE COMPOUND DPYD, TYMP, TST CYP3A4 1172/4885ALDH1A1 2454/4885CYP1A2 777/4885

“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.