SCHEMBL640848

SCHEMBL640848

NC(=O)c1cncc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 6/20 0.60
MKNK2 Q9HBH9 6/20 0.60
KDM1A O60341 1/20 0.55
HDAC1 Q13547 1/20 0.55
DHODH Q02127 1/20 0.55
CYP11B2 P19099 2/20 0.53
MAP4K4 O95819 3/20 0.53
CYP11B1 P15538 1/20 0.51
P2RY14 Q15391 2/20 0.50
DGAT1 O75907 1/20 0.48
CHEK2 O96017 1/20 0.48
KIF11 P52732 2/20 0.47
MAP2K4 P45985 1/20 0.46

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
SCHEMBL30108269 1.00 MKNK1 (0.60) MKNK1MKNK2KDM1AHDAC1DHODH
SCHEMBL27995228 0.88 MKNK1 (0.57) MKNK1MKNK2KDM1AHDAC1DHODH
SCHEMBL13876033 0.86 KDM1A (0.54) MKNK1MKNK2KDM1AHDAC1DHODH
SCHEMBL31301420 0.86 MKNK1 (0.62) MKNK1MKNK2KDM1AHDAC1DHODH
SCHEMBL1843427 0.86 MKNK1 (0.62) MKNK1MKNK2KDM1AHDAC1DHODH
SCHEMBL1758395 0.84 MKNK1 (0.68) MKNK1MKNK2DHODHCYP11B2MAP4K4
SCHEMBL30416364 0.84 MKNK1 (0.62) MKNK1MKNK2CYP11B2MAP4K4CYP11B1
SCHEMBL30108186 0.82 MKNK1 (0.65) MKNK1MKNK2CYP11B2MAP4K4CYP11B1
SCHEMBL28017939 0.81 KDM1A (0.50) MKNK1MKNK2KDM1AHDAC1DHODH
SCHEMBL6754398 0.81 MKNK1 (0.67) MKNK1MKNK2CYP11B2MAP4K4CYP11B1

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579367-B2 Aryl substituted pyridines and the use thereof PURDUE PHARMA L.P. (US) 2009-08-25 US claimed
US-20080194627-A9 Aryl substituted pyridines and the use thereof EURO-CELTIQUE S.A. (LU) 2008-08-14 US claimed
US-20070010554-A1 Aryl substituted pyridines and the use thereof EURO-CELTIQUE S.A. (LU) 2007-01-11 US claimed
EP-1432419-A1 ARYL SUBSTITUTED PYRIDINECARBOXAMIDES AND THEIR USE AS SODIUM CHANNEL BLOCKERS Euro-Celtique S.A. (LU) 2004-06-30 EP claimed
US-20030055088-A1 Aryl substituted pyridines and the use thereof EURO-CELTIQUE S.A. 2003-03-20 US claimed
WO-2003022276-A1 ARYL SUBSTITUTED PYRIDINECARBOXAMIDES AND THEIR USE AS SODIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2003-03-20 WO claimed
CN-101932577-B Heteroaryl-substituted piperidines BAYER HEALTHCARE AG 2013-07-17 CN disclosed
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-23 US disclosed
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-23 US disclosed
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-23 US disclosed
US-8119663-B2 Heteroaryl-substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-21 US disclosed
US-8119663-B2 Heteroaryl-substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-21 US disclosed
US-8119663-B2 Heteroaryl-substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-21 US disclosed
WO-2009068214-A2 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-04 WO disclosed
US-20080194627-A9 Aryl substituted pyridines and the use thereof EURO-CELTIQUE S.A. (LU) 2008-08-14 US disclosed
US-20070010554-A1 Aryl substituted pyridines and the use thereof EURO-CELTIQUE S.A. (LU) 2007-01-11 US disclosed
US-7105549-B2 Aryl substituted pyridines and the use thereof EURO-CELTIQUE S.A. (LU) 2006-09-12 US disclosed
EP-1432419-A1 ARYL SUBSTITUTED PYRIDINECARBOXAMIDES AND THEIR USE AS SODIUM CHANNEL BLOCKERS Euro-Celtique S.A. (LU) 2004-06-30 EP disclosed
US-20030055088-A1 Aryl substituted pyridines and the use thereof EURO-CELTIQUE S.A. 2003-03-20 US disclosed
WO-2003022276-A1 ARYL SUBSTITUTED PYRIDINECARBOXAMIDES AND THEIR USE AS SODIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2003-03-20 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 (4 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-20080194627-A9 Aryl substituted pyridines and the use thereof CACNA1S, CACNA1E, CACNA1C MKNK1 4472/4885MKNK2 4569/4885KDM1A 469/4885
US-20030055088-A1 Aryl substituted pyridines and the use thereof CACNA1S, CACNA1E, CACNA1D MKNK1 4334/4885MKNK2 4509/4885KDM1A 445/4885
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 MKNK1 2957/4885MKNK2 2801/4885KDM1A 3906/4885
US-20070010554-A1 Aryl substituted pyridines and the use thereof CACNA1S, CACNA1E, CACNA1C MKNK1 4472/4885MKNK2 4569/4885KDM1A 469/4885

“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.