SCHEMBL2116126

SCHEMBL2116126

Fc1ccc2ccccc2c1-c1nc(Cl)c(Cl)c(Cl)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.41
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
CYP3A4 P08684 1/20 0.39
APEX1 P27695 1/20 0.39
MAPK1 P28482 1/20 0.39
PMP22 Q01453 1/20 0.39
HPRT1 P00492 2/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CES1 P23141 1/20 0.36
CYP1A2 P05177 1/20 0.35
AR P10275 2/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
CASP3 P42574 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
SCHEMBL2117106 0.76 HPRT1 (0.42) CYP2A6MAPTMAPK1HPRT1ALDH1A1
SCHEMBL2117694 0.73 HPRT1 (0.49) CYP2A6MAPTCYP3A4HPRT1ALDH1A1
SCHEMBL29870578 0.73 CYP2A6 (0.60) CYP2A6LMNAMAPTCYP3A4APEX1
SCHEMBL51416 0.73 CYP2A6 (0.60) CYP2A6LMNAMAPTCYP3A4APEX1
SCHEMBL3153755 0.70 ALDH1A1 (0.46) CYP2A6LMNAMAPTCYP3A4HPRT1
SCHEMBL7719797 0.68 DNMT1 (0.46) CYP2A6MAPTHPRT1ALDH1A1TSHR
SCHEMBL18165257 0.68 ALDH1A1 (0.44) CYP2A6MAPTCYP3A4HPRT1ALDH1A1
SCHEMBL22555264 0.68 CYP2A6 (0.54) CYP2A6LMNAMAPTCYP3A4APEX1
SCHEMBL14196156 0.68 KDM4E (0.47) CYP2A6LMNAMAPTCYP3A4MAPK1
SCHEMBL29216526 0.67 PTPN22 (0.52) CYP2A6MAPTMAPK1HPRT1ALDH1A1

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 CYP2A6 647/4885LMNA 4884/4885MAPT 4738/4885

“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.