SCHEMBL2117682

SCHEMBL2117682

Clc1nc(CSc2ccccc2)nc(Cl)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.46
POLB P06746 3/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
NPC1 O15118 7/20 0.44
RAB9A P51151 7/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
KMT2A Q03164 4/20 0.44
NISCH Q9Y2I1 1/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 1/20 0.43
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
HTR7 P34969 1/20 0.42
HTR6 P50406 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL28563755 0.76 NPC1 (0.63) NPC1RAB9ASMN1; SMN2KMT2ANISCH
SCHEMBL1089025 0.76 POLB (0.46) L3MBTL1POLBCTDSP1NPC1RAB9A
SCHEMBL2116939 0.74 NPC1 (0.43) L3MBTL1POLBCTDSP1NPC1RAB9A
SCHEMBL5392548 0.74 L3MBTL1 (0.42) L3MBTL1POLBCTDSP1NPC1RAB9A
SCHEMBL2116108 0.71 L3MBTL1 (0.51) L3MBTL1NPC1RAB9AKMT2AALDH1A1
SCHEMBL4202253 0.68 L3MBTL1 (0.50) L3MBTL1POLBCTDSP1NPC1RAB9A
SCHEMBL6315317 0.67 HSP90AA1 (0.59) NPC1RAB9ASMN1; SMN2KMT2AHTR1A
SCHEMBL10788977 0.67 NPC1 (0.43) L3MBTL1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL4456394 0.67 MEN1 (0.66) L3MBTL1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL4200877 0.67 L3MBTL1 (0.49) L3MBTL1POLBCTDSP1NPC1RAB9A

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 L3MBTL1 3434/4885POLB 340/4885CTDSP1 241/4885

“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.