SCHEMBL14633979

SCHEMBL14633979

CNc1nc(Nc2cc(C)cc(S(=O)(=O)C3CCOCC3)c2)ncc1-c1n[nH]c2c(F)cccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.34
AURKA O14965 1/20 0.34
JAK1 P23458 5/20 0.34
EGFR P00533 2/20 0.34
BTK Q06187 2/20 0.34
JAK2 O60674 2/20 0.34
JAK3 P52333 5/20 0.33
CCNT1 O60563 2/20 0.33
CCNE1 P24864 2/20 0.33
CDK2 P24941 2/20 0.33
CDK9 P50750 2/20 0.33
CCNB2 O95067 1/20 0.33
CCNE2 O96020 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK7 P50613 1/20 0.33
CCNH P51946 1/20 0.33
CCNA1 P78396 1/20 0.33
CCNB3 Q8WWL7 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
SCHEMBL14634077 0.87 JAK1 (0.40) AURKAJAK1JAK2JAK3CCNT1
SCHEMBL14634113 0.87 IGF1R (0.34) CHEK1EGFRBTKCCNT1CCNE1
SCHEMBL14634231 0.81 CCNT1 (0.48) JAK1JAK2JAK3CCNT1CCNE1
SCHEMBL14633672 0.78 KDR (0.40) PAK1
SCHEMBL14633643 0.78 CDK2 (0.39) AURKAJAK1JAK2JAK3CCNT1
SCHEMBL14633989 0.77 SYK (0.42) AURKAJAK1BTKJAK2JAK3
SCHEMBL14634149 0.77 CCNT1 (0.43) CHEK1AURKAJAK1EGFRBTK
SCHEMBL2467170 0.77 CDK2 (0.39) AURKAJAK1JAK2JAK3CCNT1
SCHEMBL2535221 0.77 JAK1 (0.39) AURKAJAK1JAK2JAK3CCNT1
SCHEMBL2468022 0.76 JAK2 (0.49) JAK1JAK2JAK3CCNT1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US claimed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US claimed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 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 (2 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-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS MAP3K19, MAP3K1, MAP3K20 CHEK1 31/4885AURKA 70/4885JAK1 58/4885
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS CDK2, MAP3K19, MAP3K1 CHEK1 31/4885AURKA 70/4885JAK1 93/4885

“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.