SCHEMBL4444099

SCHEMBL4444099

CCCc1cc(Cl)nc(S(C)(=O)=O)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLP1R P43220 2/20 0.43
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
BACE1 P56817 1/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
MAPT P10636 6/20 0.36
TP53 P04637 2/20 0.35
ALDH1A1 P00352 3/20 0.35
HTT P42858 2/20 0.35
POLB P06746 1/20 0.35
CYP1A2 P05177 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
XBP1 P17861 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL14401729 0.81 LMNA (0.39) GLP1RLMNASMN1; SMN2MAPTTP53
SCHEMBL63292 0.79 LMNA (0.50) GLP1RLMNASMN1; SMN2MAPTTP53
SCHEMBL4446017 0.77 LMNA (0.36) GLP1RLMNASMN1; SMN2CTSSCTSK
SCHEMBL1178799 0.76 KDM4E (0.42) GLP1RLMNASMN1; SMN2CTSSCTSK
SCHEMBL5672114 0.74 NOS3 (0.42) LMNACTSSCTSKBACE1NOS3
SCHEMBL9432390 0.72 SMN1; SMN2 (0.50) GLP1RLMNASMN1; SMN2MAPTTP53
SCHEMBL6296316 0.72 LMNA (0.44) GLP1RLMNASMN1; SMN2MAPTALDH1A1
SCHEMBL3802657 0.72 ALDH1A1 (0.46) LMNACTSSCTSKBACE1NOS3
SCHEMBL11585339 0.72 LMNA (0.44) GLP1RLMNASMN1; SMN2MAPTTP53
SCHEMBL5352223 0.71 LMNA (0.47) GLP1RLMNASMN1; SMN2NOS3NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589095-B2 4-phenyl-pyrimidine-2-carbonitrile derivatives N.V. ORGANON (NL) 2009-09-15 US disclosed
EP-1758870-B1 4-PHENYL-PYRIMIDINE-2-CARBONITRILE DERIVATIVES ORGANON NV (NL) 2008-08-13 EP disclosed
US-20080090813-A1 4-Phenyl-Pyrimidine-2-Carbonitrile Derivatives Cai, Jiaqiang 2008-04-17 US disclosed
EP-1758870-A1 4-PHENYL-PYRIMIDINE-2-CARBONITRILE DERIVATIVES N.V. Organon (NL) 2007-03-07 EP disclosed
WO-2005121106-A1 4-PHENYL-PYRIMIDINE-2-CARBONITRILE DERIVATIVES N.V. ORGANON (NL) 2005-12-22 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-20080090813-A1 4-Phenyl-Pyrimidine-2-Carbonitrile Derivatives P2RY4, P2RX4, P2RY1 GLP1R 1971/4885LMNA 3795/4885SMN1; SMN2 1012/4885

“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.