SCHEMBL2115442

SCHEMBL2115442

Clc1nc(Cc2ccc3cc4ccccc4cc3c2)nc(Cl)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.42
CTRC Q99895 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2A6 P11509 2/20 0.40
CYP2D6 P10635 1/20 0.40
NFKB1 P19838 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BACE1 P56817 1/20 0.38
ALOX5 P09917 1/20 0.38
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTR2A P28223 1/20 0.35

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 0.77 L3MBTL1 (0.51) CETPCYP1A2CYP2D6MAPTL3MBTL1
SCHEMBL2117868 0.77 ALOX5 (0.46) CETPCYP1A2CYP2A6CYP2D6NFKB1
SCHEMBL28846677 0.75 CYP1A2 (0.60) CTRCCYP1A2CYP2A6CYP2D6NFKB1
SCHEMBL28751550 0.71 CALM1 (0.55) CYP1A2CYP2A6CYP2D6NFKB1TAAR1
SCHEMBL6252461 0.71 CALM1 (0.55) CYP1A2CYP2A6CYP2D6NFKB1TAAR1
SCHEMBL2838141 0.70 CYP1A2 (0.65) CTRCCYP1A2CYP2A6CYP2D6NFKB1
SCHEMBL9045082 0.69 SMN1; SMN2 (0.54) CETPCTRCCYP1A2CYP2A6CYP2D6
SCHEMBL6761421 0.69 CALM1 (0.57) CYP1A2CYP2A6ALOX5KMT2ALMNA
SCHEMBL4574912 0.69 CYP2A6 (0.52) CYP1A2CYP2A6L3MBTL1KMT2ATDP1
SCHEMBL28162726 0.69 CALM1 (0.57) CYP1A2CYP2A6ALOX5KMT2ALMNA

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 CETP 3428/4885CTRC 580/4885CYP1A2 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.