SCHEMBL2186759

SCHEMBL2186759

COc1ncc(C(C)=O)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
USP7 Q93009 1/20 0.41
NPC1 O15118 2/20 0.41
POLB P06746 1/20 0.41
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CDK5 Q00535 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38
ERN1 O75460 1/20 0.37
DYRK1A Q13627 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
HDAC3 O15379 1/20 0.33

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
SCHEMBL1912573 0.84 HCAR2 (0.57) ALDH1A1HCAR2ERN1DYRK1ASLC6A3
SCHEMBL3123316 0.82 SIRT6 (0.42) HCAR2ERN1
SCHEMBL23146191 0.82 HCAR2 (0.41) ALDH1A1RAB9ASMN1; SMN2NPC1HCAR2
SCHEMBL20239593 0.77 ACACB (0.43) ALDH1A1RAB9ASMN1; SMN2USP7NPC1
SCHEMBL23179999 0.77 CDC7 (0.56) ALDH1A1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL12271433 0.77 ALDH1A1 (0.52) ALDH1A1CCNE1CDK2HCAR2ERN1
SCHEMBL12352020 0.75 ACACB (0.51) ALDH1A1RAB9ASMN1; SMN2NPC1POLB
SCHEMBL2186354 0.75 L3MBTL1 (0.39) ALDH1A1RAB9ASMN1; SMN2USP7NPC1
SCHEMBL12403880 0.74 DYRK1A (0.34) ERN1DYRK1ASLC6A3
SCHEMBL4781387 0.72

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008487-B2 Substituted thieno[2,3-D]pyrimidines as fungicides DOW AGROSCIENCES LLC (US) 2011-08-30 US disclosed
US-8008487-B2 Substituted thieno[2,3-D]pyrimidines as fungicides DOW AGROSCIENCES LLC (US) 2011-08-30 US disclosed
US-8008487-B2 Substituted thieno[2,3-D]pyrimidines as fungicides DOW AGROSCIENCES LLC (US) 2011-08-30 US disclosed
EP-1802632-B1 THIENO-PYRIMIDINE COMPOUNDS HAVING FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2011-07-13 EP disclosed
EP-1802632-A1 THIENO-PYRIMIDINE COMPOUNDS HAVING FUNGICIDAL ACTIVITY Dow AgroSciences LLC (US) 2007-07-04 EP disclosed
WO-2006047397-A1 THIENO-PYRIMIDINE COMPOUNDS HAVING FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2006-05-04 WO disclosed
US-20060089370-A1 Thieno-pyrimidine compounds having fungicidal activity BREWSTER WILLIAM K 2006-04-27 US 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-20060089370-A1 Thieno-pyrimidine compounds having fungicidal activity TYMP, DPM1, TYMS ALDH1A1 539/4885RAB9A 3314/4885SMN1; SMN2 1805/4885

“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.