SCHEMBL2215535

SCHEMBL2215535

CC(Oc1ccc([S])cc1)N(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A3 P47895 1/20 0.32
KMT2A Q03164 1/20 0.31
PARP10 Q53GL7 1/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL3821124 0.78 TDP1 (0.44) KMT2APARP10MAPK1
SCHEMBL6788802 0.78 LDHA (0.44) KMT2AMAPK1
SCHEMBL2213115 0.78 CYP1A2 (0.33) CYP1A2CYP2C9CYP2C19ALDH1A3KMT2A
SCHEMBL7015768 0.77 MAOA (0.46) CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL9773249 0.77 LDHA (0.42) CYP1A2CYP2C9CYP2C19KMT2AMAPK1
SCHEMBL2096252 0.77 ALDH1A3 (0.52) CYP1A2CYP2C19ALDH1A3KMT2APARP10
SCHEMBL5122376 0.74 CYP1A2 (0.30) CYP1A2CYP2C9CYP2C19
SCHEMBL1578641 0.74 CYP1A2 (0.30) CYP1A2CYP2C9CYP2C19
SCHEMBL3446236 0.74 ALDH1A1 (0.42) CYP1A2CYP2C9CYP2C19ALDH1A3KMT2A
SCHEMBL28475690 0.74 KEAP1 (0.49) CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1598349-B1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD KK (JP) 2011-07-27 EP claimed
US-8765789-B2 2-pyridinecarboxamide derivatives MSD K.K. (JP) 2014-07-01 US disclosed
US-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2013-04-04 US disclosed
US-8344003-B2 2-pyridinecarboxamide derivatives MSD K. K. (JP) 2013-01-01 US disclosed
EP-1598349-B1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD KK (JP) 2011-07-27 EP disclosed
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2010-02-18 US disclosed
US-7629362-B2 2-pyridine carboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-12-08 US disclosed
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 US disclosed
EP-1598349-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-23 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 (3 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-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 CYP1A2 1518/4885CYP2C9 2169/4885CYP2C19 2297/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 CYP1A2 1602/4885CYP2C9 2234/4885CYP2C19 2361/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 CYP1A2 1518/4885CYP2C9 2169/4885CYP2C19 2297/4885

“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.