SCHEMBL2186001

SCHEMBL2186001

CC(N)COc1cccc(Cl)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 3/20 0.47
SCN5A Q14524 3/20 0.47
LMNA P02545 2/20 0.47
SCN1A P35498 2/20 0.47
SCN9A Q15858 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
KCNK3 O14649 1/20 0.47
CACNA1F O60840 1/20 0.47
KCNK2 O95069 1/20 0.47
GBA1 P04062 1/20 0.47
MAOA P21397 1/20 0.47
HTR2A P28223 1/20 0.47
SLC6A4 P31645 1/20 0.47
HTR2B P41595 1/20 0.47
SCN7A Q01118 1/20 0.47

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
SCHEMBL2608832 0.86 BTK (0.49) LMNACYP3A4TSHRBTKCDK9
SCHEMBL27852187 0.83 BTK (0.38) CYP3A4TSHRBTKCDK9DYRK1A
SCHEMBL27852177 0.81 MCHR1 (0.48) SCN4ABTKCDK9DYRK1ADYRK2
SCHEMBL2398604 0.79 SCN4A (0.54) SCN4A
SCHEMBL27852208 0.79 MCHR1 (0.37) SCN4ABTKCDK9DYRK1ADYRK2
SCHEMBL28247870 0.79 PDE8A (0.45) CYP3A4TSHRBTKCDK9DYRK1A
SCHEMBL29169257 0.77 L3MBTL1 (0.39) LMNACYP2C9TSHRBTKCDK9
SCHEMBL29169019 0.77 L3MBTL1 (0.39) LMNACYP2C9TSHRBTKCDK9
SCHEMBL27869171 0.76 MCHR1 (0.47) BTKCDK9DYRK1ADYRK2L3MBTL1
SCHEMBL30271358 0.76 MAPK8 (0.49) CYP3A4TSHRNFKB1BTKCDK9

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 8 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-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 SCN4A 3553/4885SCN5A 3131/4885LMNA 4344/4885

“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.