SCHEMBL3875774

SCHEMBL3875774

CSc1nc(OCc2ccccc2)cc(-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
MAPK14 Q16539 3/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 1/20 0.41
XDH P47989 1/20 0.40
KMO O15229 2/20 0.40
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
SCN2A Q99250 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
GAA P10253 2/20 0.39
ATM Q13315 1/20 0.39
CXCR2 P25025 1/20 0.39
GPR34 Q9UPC5 1/20 0.39
TLR8 Q9NR97 1/20 0.38
KIFC1 Q9BW19 1/20 0.38

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
SCHEMBL5593071 0.82 LMNA (0.56) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3875432 0.81 SDHB (0.51) LMNAPTPN1PTPN6ALDH1A1KDM4E
SCHEMBL3873029 0.80 CTSK (0.57) CTSSCTSK
SCHEMBL8561459 0.78 PTGES (0.43) MAPK14ALDH1A1KDM4EHPGDGAA
SCHEMBL27739899 0.78 PTPN1 (0.42) PTPN1PTPN6ALDH1A1KDM4EXDH
SCHEMBL20985735 0.78 MAPT (0.51) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL3882387 0.77 CTSK (0.49) LMNACTSSCTSK
SCHEMBL3557728 0.76 LMNA (0.55) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1357676 0.74 LMNA (0.54) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3874359 0.74 LMNA (0.54) LMNAMAPK14ALDH1A1KDM4EHPGD

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
CN-101268058-B 4-phenyl-6-substituted-pyrimidine-2-carbonitrile derivatives MSD OSS BV 2013-02-27 CN disclosed
EP-1928842-B1 4-PHENYL-6-SUBSTITUTED-PYRIMIDINE-2-CARBONITRILE DERIVATIVES ORGANON NV (NL) 2009-11-18 EP disclosed
EP-1928842-A1 4-PHENYL-6-SUBSTITUTED-PYRIMIDINE-2-CARBONITRILE DERIVATIVES N.V. Organon (NL) 2008-06-11 EP disclosed
US-7326715-B2 4-Phenyl-6-substituted-pyrimidine-2-carbonitrile derivatives N.V. ORGANON (NL) 2008-02-05 US disclosed
US-20070111992-A1 4-Phenyl-6-substituted-pyrimidine-2-carbonitrile derivatives N.V. ORGANON (NL) 2007-05-17 US disclosed
WO-2007039470-A1 4-PHENYL-6-SUBSTITUTED-PYRIMIDINE-2-CARBONITRILE DERIVATIVES N.V. ORGANON (NL) 2007-04-12 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-20070111992-A1 4-Phenyl-6-substituted-pyrimidine-2-carbonitrile derivatives CTSK, CTSS, CTSF LMNA 2979/4885PTPN1 1533/4885PTPN6 944/4885

“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.