SCHEMBL2117735

SCHEMBL2117735

Oc1cc(O)nc(Cc2cccs2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.45
▸ HTR6 P50406 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ ADRA1D P25100 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ PTGS1 P23219 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39

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
SCHEMBL29167134 0.76 HTR6 (0.64) HTR6ADORA3ADORA1LMNATSHR
SCHEMBL229621 0.72 BCL2 (0.48) CYP2C9CYP2C19TSHRALDH1A1L3MBTL1
SCHEMBL14366318 0.72 TSHR (0.46) CYP2C9HTR6ADORA3ADORA1CYP2C19
SCHEMBL559559 0.72 TAAR1 (0.56) CYP2C9CYP2C19LMNATSHRADRA1D
SCHEMBL229340 0.71 BCL2 (0.47) CYP2C9CYP2C19TSHRALDH1A1L3MBTL1
SCHEMBL28205872 0.69 ADRA1D (0.47) CYP2C9HTR6ADORA3ADORA1CYP2C19
SCHEMBL22288998 0.69 PTGS1 (0.46) CYP2C9CYP2C19LMNAADRA1DKDM4E
SCHEMBL11848838 0.69 PIK3CD (0.48) HTR6ADORA3ADORA1LMNATSHR
Acetic Acid SCHEMBL11332370 0.68 CYP2C19 (0.57) CYP2C9CYP2C19LMNAPTGS1PTGS2
SCHEMBL2116136 0.68 LMNA (0.40) LMNATSHRSMN1; SMN2KDM4EALDH1A1

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 CYP2C9 169/4885HTR6 2549/4885ADORA3 4559/4885

“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.

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