SCHEMBL2118499

SCHEMBL2118499

Clc1nc(Cc2cccc3ccccc23)nc(Cl)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.48
CYP2C19 P33261 3/20 0.48
CYP2C9 P11712 1/20 0.48
CTRC Q99895 1/20 0.46
ADRA2A P08913 4/20 0.45
ADRA2B P18089 4/20 0.45
ADRA2C P18825 4/20 0.45
ADRA1A P35348 3/20 0.45
ADRA1D P25100 2/20 0.45
ADRA1B P35368 2/20 0.45
MAPK1 P28482 2/20 0.44
TAAR1 Q96RJ0 2/20 0.44
LMNA P02545 2/20 0.44
CYP2D6 P10635 2/20 0.44
HTR1A P08908 1/20 0.44
MAPT P10636 1/20 0.44
OPRM1 P35372 1/20 0.44
NISCH Q9Y2I1 1/20 0.44
HTR6 P50406 1/20 0.44
HRH4 Q9H3N8 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
SCHEMBL599659 0.76 CYP2C19 (0.62) CYP1A2CYP2C19CYP2C9CTRCADRA2A
SCHEMBL29490353 0.76 CYP2C19 (0.62) CYP1A2CYP2C19CYP2C9CTRCADRA2A
SCHEMBL13728466 0.76 ADRA2A (0.60) CYP1A2CYP2C19CYP2C9ADRA2AADRA2B
SCHEMBL13731512 0.75 HTR6 (0.47) CYP1A2CYP2C19CYP2C9ADRA2AADRA2B
SCHEMBL2116159 0.75 ADRA2A (0.45) CYP1A2CYP2C19CYP2C9ADRA2AADRA2B
SCHEMBL10965769 0.74 CYP1A2 (0.54) CYP1A2CYP2C19CYP2C9CTRCADRA2A
SCHEMBL4667060 0.74 CYP2C19 (0.60) CYP1A2CYP2C19CYP2C9CTRCADRA2A
SCHEMBL11328087 0.74 CYP2C19 (0.60) CYP1A2CYP2C19CYP2C9CTRCADRA2A
SCHEMBL659517 0.74 CYP2C19 (0.60) CYP1A2CYP2C19CYP2C9CTRCADRA2A
Hydrogen Sulfide SCHEMBL11348128 0.74 CYP2C19 (0.60) CYP1A2CYP2C19CYP2C9CTRCADRA2A

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
CN-101646657-B Process for producing trichloropyrimidine compound SUMITOMO CHEMICAL CO JP 2012-08-08 CN disclosed
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 CYP1A2 777/4885CYP2C19 328/4885CYP2C9 169/4885

“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.