SCHEMBL3524261

SCHEMBL3524261

CN(C)CCN(C(=O)Cc1ccccc1)S(=O)(=O)c1ccc(Nc2nccc(-c3ccc(NC(=O)Cc4ccccc4)cc3)n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 9/20 0.68
JAK2 O60674 4/20 0.50
JAK3 P52333 1/20 0.50
LMNA P02545 1/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
KDR P35968 1/20 0.47
CDK2 P24941 1/20 0.45
EGFR P00533 1/20 0.45
ERBB2 P04626 1/20 0.45
IGF1R P08069 1/20 0.45
PTK2 Q05397 1/20 0.45
CDK19 Q9BWU1 1/20 0.45
TGM2 P21980 1/20 0.44
MAPK8 P45983 1/20 0.44
MAPK10 P53779 1/20 0.44
CAMK2D Q13557 1/20 0.43
CHUK O15111 1/20 0.43

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
SCHEMBL3520272 0.86 IKBKB (0.73) IKBKBJAK2JAK3LMNAHDAC1
SCHEMBL3520630 0.85 IKBKB (0.70) IKBKBJAK2JAK3LMNAHDAC1
SCHEMBL3519868 0.84 IKBKB (0.68) IKBKBJAK2JAK3LMNAHDAC1
SCHEMBL3518415 0.83 IKBKB (0.69) IKBKBJAK2JAK3HDAC1HDAC6
SCHEMBL3516112 0.83 IKBKB (0.52) IKBKBJAK2JAK3HDAC1HDAC6
SCHEMBL3524262 0.81 IKBKB (1.00) IKBKBJAK2JAK3LMNAHDAC1
SCHEMBL3516615 0.80 IKBKB (0.59) IKBKBJAK2JAK3LMNAHDAC1
SCHEMBL3518611 0.79 IKBKB (0.58) IKBKBJAK2JAK3LMNAHDAC1
SCHEMBL3520047 0.77 IKBKB (0.59) IKBKBJAK2HDAC1HDAC6CHUK
SCHEMBL3522246 0.77 IKBKB (0.70) IKBKBJAK2LMNAHDAC1HDAC6

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 3246/4885JAK2 341/4885JAK3 1251/4885

“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.