SCHEMBL25837844

SCHEMBL25837844

c1cc2[nH]ccc2c(-c2cn[nH]c2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.55
AURKB Q96GD4 1/20 0.55
INCENP Q9NQS7 1/20 0.55
TPX2 Q9ULW0 1/20 0.55
MAPK1 P28482 1/20 0.41
PIM1 P11309 2/20 0.40
TRPA1 O75762 2/20 0.40
NTRK1 P04629 1/20 0.40
JAK1 P23458 4/20 0.39
JAK2 O60674 3/20 0.39
DRD1 P21728 1/20 0.38
AKT1 P31749 1/20 0.38
AKT2 P31751 1/20 0.38
BRD4 O60885 1/20 0.37
BRD2 P25440 1/20 0.37
BRD3 Q15059 1/20 0.37
CHEK1 O14757 1/20 0.37
CHEK2 O96017 1/20 0.37
GSK3B P49841 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL18437175 0.76 PDE3B (0.58) MAPK1TRPA1JAK2DRD1CLK2
SCHEMBL5806168 0.76 PDE3B (0.58) AURKBTRPA1JAK2MAPTCLK2
SCHEMBL30557174 0.74 AURKA (0.48) AURKAAURKBINCENPTPX2MAPK1
SCHEMBL171455 0.74 JAK2 (0.61) AURKAAURKBINCENPTPX2MAPK1
SCHEMBL29541277 0.74 JAK2 (0.61) AURKAAURKBINCENPTPX2MAPK1
SCHEMBL30557210 0.72 PIK3CD (0.58) AURKAAURKBINCENPTPX2PIM1
SCHEMBL2239177 0.71 AURKB (1.00) AURKAAURKBINCENPTPX2JAK1
SCHEMBL31061291 0.71 AURKB (1.00) AURKAAURKBINCENPTPX2JAK1
SCHEMBL29893852 0.70 KDM4E (0.45) TRPA1DRD1PDE3BPDE3A
SCHEMBL30557126 0.69 BRD4 (0.55) AURKAAURKBINCENPTPX2MAPK1

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-20230226064-A1 ORAL LIQUID FORMULATIONS OF RUXOLITINIB NOVARTIS PHARMACEUTICALS CORPORATION 2023-07-20 US disclosed
US-20230226064-A1 ORAL LIQUID FORMULATIONS OF RUXOLITINIB NOVARTIS PHARMACEUTICALS CORPORATION 2023-07-20 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-20230226064-A1 ORAL LIQUID FORMULATIONS OF RUXOLITINIB JAK1, JAK2, JAK3 AURKA 402/4885AURKB 478/4885INCENP 4175/4885

“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.