SCHEMBL4446017

SCHEMBL4446017

CCCc1cc([Sn](C)(C)C)nc(S(C)(=O)=O)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
BACE1 P56817 1/20 0.35
GLP1R P43220 2/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
CYP1A2 P05177 1/20 0.33
KDM4E B2RXH2 4/20 0.31
HSD17B10 Q99714 2/20 0.31
MAPT P10636 2/20 0.31
KDM5B Q9UGL1 1/20 0.31
BPTF Q12830 1/20 0.31
NPSR1 Q6W5P4 3/20 0.31
SDHB P21912 2/20 0.31
STAT3 P40763 2/20 0.31
STAT1 P42224 2/20 0.31
RAB9A P51151 2/20 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
SCHEMBL4444099 0.77 GLP1R (0.43) LMNASMN1; SMN2CTSSCTSKBACE1
SCHEMBL4448061 0.73 HRH4 (0.38) LMNANOS3NOS1NOS2HSD17B10
SCHEMBL1178799 0.73 KDM4E (0.42) LMNASMN1; SMN2CTSSCTSKBACE1
SCHEMBL5352223 0.69 LMNA (0.47) LMNASMN1; SMN2GLP1RNOS3NOS2
SCHEMBL4450246 0.69 CTSK (0.55) CTSSCTSK
SCHEMBL1179066 0.69 ALDH1A1 (0.45) LMNASMN1; SMN2GLP1RCYP1A2KDM4E
SCHEMBL4447813 0.65 CTSK (0.61) LMNACTSSCTSKHSD17B10BPTF
SCHEMBL4447685 0.63 PARP1 (0.35) LMNASMN1; SMN2
SCHEMBL16608850 0.63 LMNA (0.41) LMNASMN1; SMN2NOS3NOS2KDM4E
SCHEMBL17995543 0.61 BACE1 (0.38) CTSSCTSKBACE1NOS3NOS1

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 LMNA 3795/4885SMN1; SMN2 1012/4885CTSS 2645/4885

“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.