SCHEMBL3271817

SCHEMBL3271817

CN1CCN(Cc2ccc(Nc3nccc(-c4c[nH]nc4-c4cccc(C(F)(F)F)c4)n3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.50
AXL P30530 9/20 0.49
RET P07949 1/20 0.48
KIT P10721 2/20 0.48
MAPK13 O15264 2/20 0.48
MAPK12 P53778 2/20 0.48
MAPK11 Q15759 2/20 0.48
MAPK14 Q16539 2/20 0.48
MERTK Q12866 6/20 0.48
ABL1 P00519 2/20 0.48
PDGFRB P09619 2/20 0.48
BCR P11274 2/20 0.48
SRC P12931 2/20 0.48
PDGFRA P16234 2/20 0.48
SYK P43405 2/20 0.48
JAK3 P52333 1/20 0.47
MET P08581 1/20 0.46
GSK3B P49841 4/20 0.46
CDK4 P11802 2/20 0.46
CCND3 P30281 2/20 0.46

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
SCHEMBL3250466 0.90 AXL (0.57) JAK2AXLRETMERTKABL1
SCHEMBL4203689 0.85 AXL (0.51) JAK2AXLRETKITMAPK13
SCHEMBL3247584 0.83 JAK2 (0.58) JAK2AXLRETKITMAPK13
SCHEMBL3252196 0.83 JAK2 (0.58) JAK2AXLRETMERTKJAK3
SCHEMBL3258021 0.83 JAK2 (0.60) JAK2RETKITABL1PDGFRB
SCHEMBL3254958 0.82 ACVR1 (0.55) JAK2AXLRETMERTKSYK
SCHEMBL3254455 0.80 JAK2 (0.56) JAK2AXLRETKITMAPK13
SCHEMBL3249693 0.80 JAK2 (0.59) JAK2AXLRETKITMERTK
SCHEMBL3247660 0.79 JAK2 (0.60) JAK2RETKITABL1PDGFRB
SCHEMBL3252524 0.78 JAK2 (0.53) JAK2JAK3GSK3BCDK4CCND3

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
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
US-7691855-B2 Phenyl-[4-(3-phenyl-1h-pyrazol-4-yl)-pyrimidin-2-yl)-amine derivatives NOVARTIS AG (CH) 2010-04-06 US disclosed
US-20060106027-A1 Phenyl-[4-(3-phenyl-1h-pyrazol-4-yl)-pyrimidin-2-yI)-amine derivatives FURET PASCAL 2006-05-18 US 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 24/4885AXL 2794/4885RET 1252/4885

“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.