SCHEMBL3879822

SCHEMBL3879822

COc1ccc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)nc(S(C)(=O)=O)n2)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.47
HPGD P15428 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SMPD3 Q9NY59 2/20 0.43
SUV39H2 Q9H5I1 2/20 0.42
ALK Q9UM73 2/20 0.42
GALR2 O43603 1/20 0.42
GALR1 P47211 1/20 0.42
GPR119 Q8TDV5 3/20 0.42
ITGB2 P05107 2/20 0.41
ICAM1 P05362 2/20 0.41
ITGAL P20701 2/20 0.41
BRD4 O60885 1/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40

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
SCHEMBL3874052 0.84 CTSS (0.52) SMPD3SUV39H2ALKGALR2GALR1
SCHEMBL3872979 0.83 RAF1 (0.47) TP53HPGDKMT2ASMN1; SMN2NPSR1
SCHEMBL3882842 0.80 CKS1B (0.49) HPGDSMN1; SMN2NPSR1GALR2GALR1
SCHEMBL3882847 0.74 GPR119 (0.49) KMT2ASUV39H2GPR119CKS1BSKP1
SCHEMBL25460214 0.71 MAPT (0.47) HPGDSMN1; SMN2SUV39H2GPR119CKS1B
SCHEMBL16711107 0.71 HRH4 (0.48) HPGDSMN1; SMN2GPR119CKS1BSKP1
SCHEMBL31410409 0.71 ALK (0.53) HPGDSMN1; SMN2SUV39H2ALKGPR119
SCHEMBL908898 0.71 PIK3CA (0.60)
SCHEMBL25386966 0.70 GALR2 (0.54) GALR2GALR1GPR119CKS1BSKP1
SCHEMBL30661973 0.70 GALR2 (0.54) GALR2GALR1GPR119CKS1BSKP1

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
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 TP53 1689/4885HPGD 1058/4885KMT2A 3982/4885

“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.