SCHEMBL3278430

SCHEMBL3278430

CN1CCC(COc2ccc(N)c(-c3nccc(-c4c[nH]nc4-c4ccc(Cl)cc4)n3)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 1/20 0.40
KCNH2 Q12809 3/20 0.39
CHEK2 O96017 3/20 0.38
MAPK11 Q15759 2/20 0.37
MAPK14 Q16539 2/20 0.37
MAPK8 P45983 1/20 0.37
IKBKB O14920 1/20 0.37
DRD4 P21917 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
AIMP2 Q13155 1/20 0.34
KDM5A P29375 1/20 0.34
KDM2B Q8NHM5 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
EGFR P00533 1/20 0.34
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
ABL1 P00519 1/20 0.33

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
SCHEMBL3254613 0.81 PIK3CA (0.47) CXCR1KCNH2MAPK14MAPK8IKBKB
SCHEMBL3247848 0.80 AIMP2 (0.58) KCNH2MAPK14MAPK8IKBKBAIMP2
SCHEMBL3254348 0.73 AIMP2 (0.49) MAPK14AIMP2ABL1
SCHEMBL3264121 0.73 SYK (0.49) AIMP2
SCHEMBL8266796 0.71 CXCR1 (0.55) CXCR1KCNH2
SCHEMBL2056311 0.68 SIGMAR1 (0.50) CXCR1HSP90AA1HSP90AB1
SCHEMBL3256070 0.68 AIMP2 (0.59) KCNH2MAPK14MAPK8IKBKBAIMP2
SCHEMBL20982684 0.67 MAOA (0.52) CXCR1KCNH2HSP90AA1HSP90AB1
SCHEMBL3247464 0.66 MAPT (0.39) MAPK8
SCHEMBL3252196 0.65 JAK2 (0.58) AIMP2

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-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 CXCR1 3889/4885KCNH2 1903/4885CHEK2 872/4885

“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.