SCHEMBL3516112

SCHEMBL3516112

CC(C)CC(=O)Nc1ccc(-c2ccnc(Nc3ccc(S(=O)(=O)N(CCN(C)C)C(=O)CC(C)C)cc3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 13/20 0.52
MAPK8 P45983 1/20 0.45
MAPK10 P53779 1/20 0.45
JAK2 O60674 3/20 0.45
JAK3 P52333 1/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
CHUK O15111 2/20 0.44
PTPN1 P18031 1/20 0.43
CDK2 P24941 2/20 0.43
CDK4 P11802 1/20 0.42

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
SCHEMBL3519923 0.86 IKBKB (0.55) IKBKBMAPK8MAPK10JAK2JAK3
SCHEMBL3518415 0.85 IKBKB (0.69) IKBKBMAPK8MAPK10JAK2JAK3
SCHEMBL3516422 0.84 IKBKB (0.64) IKBKBJAK2JAK3HDAC1HDAC6
SCHEMBL3524261 0.83 IKBKB (0.68) IKBKBMAPK8MAPK10JAK2JAK3
SCHEMBL3520259 0.83 IKBKB (0.65) IKBKBJAK2JAK3HDAC1HDAC6
SCHEMBL27680659 0.82 IKBKB (0.51) IKBKBMAPK8MAPK10JAK2JAK3
SCHEMBL27680549 0.80 IKBKB (0.49) IKBKBMAPK8MAPK10JAK2JAK3
SCHEMBL3516615 0.80 IKBKB (0.59) IKBKBJAK2JAK3HDAC1HDAC6
SCHEMBL3518611 0.78 IKBKB (0.58) IKBKBJAK2JAK3HDAC1HDAC6
SCHEMBL3518118 0.74 IKBKB (0.73) IKBKBMAPK8MAPK10JAK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799915-B2 Anilino-pyrimidine analogs WYETH LLC (US) 2010-09-21 US claimed
US-20060079543-A1 Anilino-pyrimidine analogs WYETH (US) 2006-04-13 US claimed
US-7799915-B2 Anilino-pyrimidine analogs WYETH LLC (US) 2010-09-21 US disclosed
US-20060079543-A1 Anilino-pyrimidine analogs WYETH (US) 2006-04-13 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-20060079543-A1 Anilino-pyrimidine analogs DPYD, TYMP, ADORA3 IKBKB 3246/4885MAPK8 3605/4885MAPK10 3905/4885

“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.