SCHEMBL2644081

SCHEMBL2644081

CC(C)c1csc(C[NH])n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 3/20 0.37
GAA P10253 2/20 0.35
CCR4 P51679 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
GRM1 Q13255 1/20 0.33
DRD4 P21917 1/20 0.31
ALB P02768 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL2643231 0.84 TAAR1 (0.39)
SCHEMBL2628923 0.79 KMT2A (0.44) KMT2AMEN1POLBRAB9AALDH1A1
SCHEMBL9258490 0.79 KMT2A (0.38) KMT2AMEN1POLBRAB9AALDH1A1
SCHEMBL5779345 0.79 KMT2A (0.38) KMT2AMEN1POLBRAB9AALDH1A1
SCHEMBL13986776 0.79 MEN1 (0.38) KMT2AMEN1POLBRAB9AALDH1A1
SCHEMBL5779031 0.79 KMT2A (0.38) KMT2AMEN1POLBRAB9AALDH1A1
SCHEMBL12120609 0.79 ALDH1A1 (0.40) KMT2AMEN1POLBRAB9AALDH1A1
SCHEMBL12844161 0.78 SLC6A3 (0.40) KMT2AMEN1POLBRAB9AALDH1A1
SCHEMBL13986777 0.76 KMT2A (0.36) KMT2AMEN1POLBRAB9AALDH1A1
SCHEMBL12776037 0.76 KMT2A (0.36) KMT2AMEN1POLBRAB9AALDH1A1

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-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
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 KMT2A 1297/4885MEN1 4502/4885POLB 4428/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 KMT2A 1311/4885MEN1 4528/4885POLB 4432/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 KMT2A 1297/4885MEN1 4502/4885POLB 4428/4885

“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.