SCHEMBL2575470

SCHEMBL2575470

O=C(Cc1ccc(C(F)(F)F)cc1)Nc1cnc(-n2cccn2)nc1O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.50
NLRP3 Q96P20 1/20 0.43
TRPV1 Q8NER1 3/20 0.42
MAPK8 P45983 2/20 0.40
MAPK10 P53779 1/20 0.40
RIOK2 Q9BVS4 1/20 0.39
RET P07949 1/20 0.38
P2RX7 Q99572 2/20 0.38
HIF1A Q16665 1/20 0.38
CACNA1H O95180 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
NTRK1 P04629 1/20 0.37
P2RY14 Q15391 1/20 0.37
ANO1 Q5XXA6 1/20 0.37
HCRTR1 O43613 1/20 0.37

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
SCHEMBL2564316 0.89 MEN1 (0.47) EGLN1TRPV1MAPK8RIOK2RET
SCHEMBL2566665 0.89 EGLN1 (0.49) EGLN1MAPK8MAPK10
SCHEMBL2568896 0.87 EGLN1 (0.50) EGLN1NLRP3CACNA1HLMNA
SCHEMBL2575673 0.86 EGLN1 (0.64) EGLN1RETLMNA
SCHEMBL2576569 0.85 DEGS1 (0.44) TRPV1NTRK1HCRTR1
SCHEMBL2575724 0.84 TP53 (0.50) EGLN1NLRP3MAPK8MAPK10CACNA1H
SCHEMBL2566952 0.83 ANO1 (0.42) EGLN1TRPV1LMNAHDAC1NTRK1
SCHEMBL2568106 0.83 EGLN1 (0.67) EGLN1NLRP3MAPK8MAPK10RIOK2
SCHEMBL2574873 0.83 MEN1 (0.43) EGLN1TRPV1RIOK2LMNAPOLB
SCHEMBL2571947 0.81 ACLY (0.42) EGLN1TRPV1HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2560655-B1 SUBSTITUTED PYRIMIDINES MERCK SHARP & DOHME (US) 2016-08-24 EP claimed
US-9006433-B2 Substituted pyrimidines MERCK SHARP & DOHME CORP. (US) 2015-04-14 US claimed
US-20130018053-A1 SUBSTITUTED PYRIMIDINES MERCK SHARP & DOHME LLC 2013-01-17 US claimed
WO-2011130908-A1 SUBSTITUTED PYRIMIDINES MERCK SHARP & DOHME CORP. (US) 2011-10-27 WO claimed
EP-2560655-B1 SUBSTITUTED PYRIMIDINES MERCK SHARP & DOHME (US) 2016-08-24 EP disclosed
EP-2560655-B1 SUBSTITUTED PYRIMIDINES MERCK SHARP & DOHME (US) 2016-08-24 EP disclosed
US-9006433-B2 Substituted pyrimidines MERCK SHARP & DOHME CORP. (US) 2015-04-14 US disclosed
US-9006433-B2 Substituted pyrimidines MERCK SHARP & DOHME CORP. (US) 2015-04-14 US disclosed
US-20130018053-A1 SUBSTITUTED PYRIMIDINES MERCK SHARP & DOHME LLC 2013-01-17 US disclosed
US-20130018053-A1 SUBSTITUTED PYRIMIDINES MERCK SHARP & DOHME LLC 2013-01-17 US disclosed
WO-2011130908-A1 SUBSTITUTED PYRIMIDINES MERCK SHARP & DOHME CORP. (US) 2011-10-27 WO disclosed
WO-2011130908-A1 SUBSTITUTED PYRIMIDINES MERCK SHARP & DOHME CORP. (US) 2011-10-27 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 (1 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-20130018053-A1 SUBSTITUTED PYRIMIDINES HIF1AN, HIF1A, EGLN3 EGLN1 7/4885NLRP3 1777/4885TRPV1 4399/4885

“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.