SCHEMBL3874359

SCHEMBL3874359

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.54
▸ XDH P47989 1/20 0.45
▸ CTSS P25774 2/20 0.45
▸ KMO O15229 2/20 0.44
▸ IDO1 P14902 1/20 0.43
▸ CTSK P43235 2/20 0.43
▸ ADAM17 P78536 1/20 0.43
▸ MAPK14 Q16539 1/20 0.43
▸ ALDH1A1 P00352 7/20 0.43
▸ KDM4E B2RXH2 5/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ DYRK3 O43781 1/20 0.43
▸ CCNT1 O60563 1/20 0.43
▸ CCNA2 P20248 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ CDK9 P50750 1/20 0.43
▸ CDK5 Q00535 1/20 0.43
▸ DYRK1A Q13627 1/20 0.43
▸ CDK5R1 Q15078 1/20 0.43

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 0.86 LMNA (0.56) LMNAXDHCTSSKMOIDO1
SCHEMBL3557728 0.84 LMNA (0.55) LMNAXDHCTSSKMOIDO1
SCHEMBL3874666 0.83 LMNA (0.54) LMNAXDHCTSSKMOIDO1
SCHEMBL1357676 0.83 LMNA (0.54) LMNAXDHCTSSKMOIDO1
SCHEMBL4453870 0.80 CTSK (0.65) LMNACTSSCTSKMAPK14KCNH2
SCHEMBL11467792 0.79 LMNA (0.58) LMNAXDHCTSSKMOIDO1
SCHEMBL7525473 0.79 MAPT (0.51) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL3879833 0.78 MAPK14 (0.49) LMNACTSSCTSKMAPK14KCNH2
SCHEMBL11278322 0.78 ALDH1A1 (0.58) LMNAXDHCTSSKMOIDO1
SCHEMBL19806057 0.75 MEN1 (0.51) LMNAALDH1A1KDM4EMEN1KMT2A

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 2979/4885XDH 623/4885CTSS 2/4885

“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.

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