SCHEMBL2644083

SCHEMBL2644083

CC(C)c1csc(CN)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 3/20 0.37
LOXL2 Q9Y4K0 3/20 0.36
GAA P10253 2/20 0.35
CCR4 P51679 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
DRD4 P21917 1/20 0.33
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
LOXL3 P58215 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL8276154 0.81 MEN1 (0.39) MEN1KMT2APOLBRAB9AALDH1A1
SCHEMBL2628923 0.79 KMT2A (0.44) MEN1KMT2APOLBRAB9AALDH1A1
SCHEMBL5779031 0.79 KMT2A (0.38) MEN1KMT2APOLBRAB9AALDH1A1
SCHEMBL2644081 0.79 KMT2A (0.38) MEN1KMT2APOLBRAB9AALDH1A1
SCHEMBL13986776 0.79 MEN1 (0.38) MEN1KMT2APOLBRAB9AALDH1A1
SCHEMBL9258490 0.79 KMT2A (0.38) MEN1KMT2APOLBRAB9AALDH1A1
SCHEMBL5779345 0.79 KMT2A (0.38) MEN1KMT2APOLBRAB9AALDH1A1
SCHEMBL12120609 0.79 ALDH1A1 (0.40) MEN1KMT2APOLBRAB9AALDH1A1
SCHEMBL12844161 0.78 SLC6A3 (0.40) MEN1KMT2APOLBRAB9AALDH1A1
SCHEMBL13986777 0.76 KMT2A (0.36) MEN1KMT2APOLBRAB9AALDH1A1

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-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-7211593-B2 C12-cyano epothilone derivatives BRISTOL-MYERS SQUIBB CO. (US) 2007-05-01 US disclosed
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 US disclosed
WO-2003106455-A1 AZOLE METHYLIDENE CYANIDE DERIVATIVES AND THEIR USE AS PROTEIN KINASE MODULATORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-12-24 WO 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 MEN1 4502/4885KMT2A 1297/4885POLB 4428/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 MEN1 4528/4885KMT2A 1311/4885POLB 4432/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 MEN1 4502/4885KMT2A 1297/4885POLB 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.