SCHEMBL3255257

SCHEMBL3255257

CCN1CCN(Cc2ccc(Nc3nccc(-c4c[nH]nc4-c4ccc(C)cc4)n3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.53
JAK3 P52333 5/20 0.53
ACVR1 Q04771 2/20 0.48
MERTK Q12866 6/20 0.47
MET P08581 5/20 0.47
AXL P30530 5/20 0.45
RET P07949 1/20 0.43
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
GSK3B P49841 1/20 0.43
ALDH1A1 P00352 1/20 0.43
IKBKB O14920 1/20 0.42
CHUK O15111 1/20 0.42

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
SCHEMBL3247584 0.93 JAK2 (0.58) JAK2JAK3MERTKMETAXL
SCHEMBL3250156 0.93 JAK2 (0.53) JAK2JAK3ACVR1MERTKMET
SCHEMBL3254958 0.93 ACVR1 (0.55) JAK2JAK3ACVR1MERTKMET
SCHEMBL3254455 0.91 JAK2 (0.56) JAK2JAK3ACVR1MERTKMET
SCHEMBL3253533 0.91 JAK2 (0.49) JAK2JAK3ACVR1MERTKMET
SCHEMBL3252760 0.89 EGFR (0.52) ACVR1
SCHEMBL3252196 0.86 JAK2 (0.58) JAK2JAK3MERTKMETAXL
SCHEMBL3388882 0.85 ACVR1 (0.55) JAK2JAK3ACVR1
SCHEMBL3255363 0.83 ACVR1 (0.51) ACVR1
SCHEMBL3247660 0.83 JAK2 (0.60) JAK2JAK3ACVR1RETCDK1

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 7 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
EP-1521749-B1 PHENYL-(4-(3-PHENYL-1H-PYRAZOL-4-YL)-PYRIMIDIN-2-Yl)-AMINE DERIVATIVES NOVARTIS AG (CH) 2010-05-19 EP claimed
US-7691855-B2 Phenyl-[4-(3-phenyl-1h-pyrazol-4-yl)-pyrimidin-2-yl)-amine derivatives NOVARTIS AG (CH) 2010-04-06 US 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
EP-1521749-B1 PHENYL-(4-(3-PHENYL-1H-PYRAZOL-4-YL)-PYRIMIDIN-2-Yl)-AMINE DERIVATIVES NOVARTIS AG (CH) 2010-05-19 EP 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-20060106027-A1 Phenyl-[4-(3-phenyl-1h-pyrazol-4-yl)-pyrimidin-2-yI)-amine derivatives MKI67, CCNI, PAH JAK2 24/4885JAK3 41/4885ACVR1 1522/4885

“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.