SCHEMBL3391948

SCHEMBL3391948

Cc1ccc(-c2nn(C)cc2-c2ccnc(Nc3cccc(OCC4CCN(C)CC4)c3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AIMP2 Q13155 1/20 0.51
ACVR1 Q04771 6/20 0.47
ABL1 P00519 1/20 0.45
BCR P11274 1/20 0.45
JAK2 O60674 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
SYK P43405 1/20 0.43
MAPK14 Q16539 1/20 0.43
PIK3CA P42336 4/20 0.42
PIK3CG P48736 4/20 0.42
PIK3CB P42338 3/20 0.42
GSK3B P49841 2/20 0.41
CDK2 P24941 1/20 0.41
MTOR P42345 1/20 0.41
SMG1 Q96Q15 1/20 0.41
SCN9A Q15858 1/20 0.41

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
SCHEMBL3256070 0.94 AIMP2 (0.59) AIMP2ACVR1JAK2HDAC1HDAC6
SCHEMBL3254348 0.87 AIMP2 (0.49) AIMP2ACVR1ABL1BCRJAK2
SCHEMBL3247848 0.82 AIMP2 (0.58) AIMP2ACVR1JAK2HDAC1HDAC6
SCHEMBL5921359 0.80 ACVR1 (0.52) AIMP2ACVR1ABL1BCRMAPK14
SCHEMBL3253037 0.80 AIMP2 (0.55) AIMP2ACVR1PIK3CAPIK3CGPIK3CB
SCHEMBL3264121 0.78 SYK (0.49) AIMP2JAK2HDAC1HDAC6SYK
SCHEMBL3258055 0.75 JAK2 (0.60) ACVR1ABL1BCRJAK2SYK
SCHEMBL3258114 0.75 ACVR1 (0.62) ACVR1JAK2GSK3BCDK2
SCHEMBL3254269 0.74 PIK3CG (0.57) SYKPIK3CAPIK3CGPIK3CBGSK3B
SCHEMBL3271487 0.74 JAK2 (0.61) AIMP2ACVR1ABL1BCRJAK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1521749-B8 PHENYL-(4-(3-PHENYL-1H-PYRAZOL-4-YL)-PYRIMIDIN-2-Yl)-AMINE DERIVATIVES NOVARTIS AG (CH) 2010-12-22 EP claimed
US-20060106027-A1 Phenyl-[4-(3-phenyl-1h-pyrazol-4-yl)-pyrimidin-2-yI)-amine derivatives FURET PASCAL 2006-05-18 US claimed
EP-1521749-A1 PHENYL-(4-(3-PHENYL-1H-PYRAZOL-4-YL)-PYRIMIDIN-2-Yl)-AMINE DERIVATIVES Novartis AG (CH) 2005-04-13 EP claimed
WO-2004005282-A1 PHENYL-[4-(3-PHENYL-1H-PYRAZOL-4-YL)-PYRIMIDIN-2-Yl)-AMINE DERIVATIVES NOVARTIS AG (CH) 2004-01-15 WO claimed

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-20060106027-A1 Phenyl-[4-(3-phenyl-1h-pyrazol-4-yl)-pyrimidin-2-yI)-amine derivatives MKI67, CCNI, PAH AIMP2 385/4885ACVR1 1522/4885ABL1 178/4885

“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.