SCHEMBL1916893

SCHEMBL1916893

CC(=O)NCCNc1nc(Cl)ncc1OC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.42
STK17A Q9UEE5 1/20 0.42
GLP1R P43220 1/20 0.41
CYP3A4 P08684 10/20 0.41
HSD17B10 Q99714 6/20 0.41
ALOX15 P16050 4/20 0.41
CYP2C19 P33261 4/20 0.41
CYP1A2 P05177 9/20 0.38
CYP2D6 P10635 6/20 0.38
ALDH1A1 P00352 5/20 0.38
P2RX3 P56373 1/20 0.38
P2RX2 Q9UBL9 1/20 0.38
TSHR P16473 4/20 0.38
CYP2C9 P11712 2/20 0.38
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
LMNA P02545 1/20 0.37
CA12 O43570 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36

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
SCHEMBL3284910 1.00 STK17B (0.42) STK17BSTK17AGLP1RCYP3A4HSD17B10
SCHEMBL1916945 0.86 CYP3A4 (0.51) STK17BSTK17AGLP1RCYP3A4HSD17B10
SCHEMBL1916465 0.82 GLP1R (0.44) STK17BSTK17AGLP1RCYP3A4HSD17B10
SCHEMBL3287052 0.82 GLP1R (0.44) STK17BSTK17AGLP1RCYP3A4HSD17B10
SCHEMBL3310812 0.80 STK17B (0.57) STK17BSTK17AGLP1RCYP3A4HSD17B10
SCHEMBL1916915 0.79 CYP3A4 (0.48) STK17BSTK17AGLP1RCYP3A4HSD17B10
SCHEMBL1774178 0.78 GLP1R (0.45) STK17BSTK17AGLP1RCYP3A4HSD17B10
SCHEMBL2816596 0.78 GLP1R (0.45) STK17BSTK17AGLP1RCYP3A4HSD17B10
SCHEMBL13177678 0.78 GLP1R (0.45) STK17BSTK17AGLP1RCYP3A4HSD17B10
SCHEMBL13360542 0.75 GLP1R (0.43) STK17BSTK17AGLP1RCYP3A4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420630-B2 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-04-16 US disclosed
EP-2090571-B1 Pyrimidine derivates, medicaments comprising them, their use and process of their preparation BOEHRINGER INGELHEIM PHARMA (DE) 2012-05-16 EP disclosed
EP-2332924-A1 Pyrimidine derivates, medicaments comprising them, their use and process of their preparation Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2011-06-15 EP disclosed
US-20100152167-A1 PYRIMIDINE DERIVATIVES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-06-17 US disclosed
EP-2090571-A1 Pyrimidine derivates, medicaments comprising them, their use and process of their preparation Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-08-19 EP disclosed
US-20060100211-A1 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-05-11 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 (2 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-20060100211-A1 Pyrimidine derivatives TYMP, TYMS, DPYD STK17B 983/4885STK17A 1083/4885GLP1R 1088/4885
US-20100152167-A1 PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD STK17B 983/4885STK17A 1083/4885GLP1R 1088/4885

“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.