SCHEMBL3276512

SCHEMBL3276512

Cc1ccc(-c2c(-c3ccnc(Nc4ccc(CN5CCN(C)CC5)cc4)n3)cnn2C2CCN(C)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.55
JAK3 P52333 4/20 0.47
ABL1 P00519 6/20 0.46
KIT P10721 6/20 0.46
BCR P11274 4/20 0.46
ABL2 P42684 3/20 0.45
PDGFRA P16234 3/20 0.45
KDR P35968 2/20 0.45
PDGFRB P09619 2/20 0.45
SRC P12931 2/20 0.45
SYK P43405 2/20 0.45
PLK4 O00444 1/20 0.45
DDX3X O00571 1/20 0.45
GAK O14976 1/20 0.45
SLC22A2 O15244 1/20 0.45
MAPK13 O15264 1/20 0.45
CA12 O43570 1/20 0.45
SLC22A3 O75751 1/20 0.45
ABCB11 O95342 1/20 0.45
EGFR P00533 1/20 0.45

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
SCHEMBL3247806 0.93 JAK2 (0.55) JAK2JAK3ABL1KITBCR
SCHEMBL3247393 0.89 JAK2 (0.59) JAK2JAK3ABL1KITBCR
SCHEMBL3252610 0.84 JAK2 (0.53) JAK2JAK3ABL1KITBCR
SCHEMBL3251036 0.83 JAK2 (0.53) JAK2JAK3ABL1KITBCR
SCHEMBL3256351 0.83 JAK2 (0.54) JAK2JAK3ABL1KITBCR
SCHEMBL3255240 0.82 JAK2 (0.59) JAK2JAK3ABL1KITBCR
SCHEMBL3247584 0.79 JAK2 (0.58) JAK2JAK3ABL1KITBCR
SCHEMBL3258055 0.79 JAK2 (0.60) JAK2JAK3ABL1KITBCR
SCHEMBL3254769 0.77 JAK2 (0.53) JAK2JAK3ABL1KITBCR
SCHEMBL3250061 0.76 JAK2 (0.54) JAK2JAK3ABL1KITBCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060106027-A1 Phenyl-[4-(3-phenyl-1h-pyrazol-4-yl)-pyrimidin-2-yI)-amine derivatives FURET PASCAL 2006-05-18 US 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

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 41/4885ABL1 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.