SCHEMBL4444259

SCHEMBL4444259

Cc1ccc(-c2cc(CCCO)nc(S(C)(=O)=O)n2)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.42
LMNA P02545 4/20 0.40
KMT2A Q03164 4/20 0.40
SDHB P21912 3/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
BPTF Q12830 8/20 0.39
NPSR1 Q6W5P4 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
STAT3 P40763 2/20 0.38
STAT1 P42224 2/20 0.38
RAB9A P51151 2/20 0.38
TLR9 Q9NR96 2/20 0.38
MITF O75030 1/20 0.38
PTGS2 P35354 1/20 0.37
TP53 P04637 4/20 0.37
HPGD P15428 3/20 0.37
HTT P42858 2/20 0.37
HSD17B10 Q99714 2/20 0.37
BACE1 P56817 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
SCHEMBL13707277 0.78 CTSK (0.49) CTSKLMNAKMT2ASDHBBPTF
SCHEMBL4442546 0.77 CTSK (0.62) CTSKLMNAKMT2ASDHBNPSR1
SCHEMBL4447130 0.77 SDHB (0.42) CTSKLMNAKMT2ASDHBKDM4E
SCHEMBL4451549 0.76 CTSK (0.44) CTSKLMNAKMT2AKDM4EALDH1A1
SCHEMBL4442745 0.75 CTSK (0.74) CTSKKCNH2
SCHEMBL4442552 0.72 SDHB (0.34) LMNAKMT2ASDHBKDM4EALDH1A1
SCHEMBL4447133 0.72 SDHB (0.40) CTSKLMNAKMT2ASDHBKDM4E
SCHEMBL5749218 0.71 HTR1B (0.39) LMNAKMT2ASDHBKDM4EALDH1A1
SCHEMBL27662827 0.70 SDHB (0.51) LMNAKMT2ASDHBKDM4EALDH1A1
SCHEMBL5795123 0.70 TLR8 (0.55) CTSKLMNAKDM4ESMN1; SMN2PTGS2

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 CTSK 1852/4885LMNA 3795/4885KMT2A 3689/4885

“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.