SCHEMBL3516299

SCHEMBL3516299

Cc1ccsc1-c1ccnc(Nc2ccc(S(N)(=O)=O)cc2)n1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 11/20 0.66
DKK1 O94907 2/20 0.66
GSK3B P49841 2/20 0.66
CDK2 P24941 6/20 0.60
CCNT1 O60563 5/20 0.60
CDK1 P06493 5/20 0.60
CCNB1 P14635 5/20 0.60
CDK9 P50750 5/20 0.60
CCNA2 P20248 4/20 0.60
CDK7 P50613 4/20 0.60
CCNH P51946 4/20 0.60
CCNA1 P78396 4/20 0.60
MAPK8 P45983 1/20 0.58
MAPK10 P53779 1/20 0.58
CDK4 P11802 1/20 0.53

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
SCHEMBL3521035 0.87 CDK9 (0.52) IKBKBDKK1GSK3BCDK2CCNT1
SCHEMBL13924492 0.82 SYK (0.68) IKBKBDKK1GSK3BCDK2CCNT1
SCHEMBL4144796 0.82 IKBKB (0.47) IKBKBDKK1GSK3BCDK2CCNT1
SCHEMBL3520747 0.82 IKBKB (0.52) IKBKBDKK1GSK3BCDK2CCNT1
SCHEMBL4154423 0.81 CDK2 (0.78) IKBKBDKK1GSK3BCDK2CCNT1
SCHEMBL7471779 0.80 CDK2 (0.67) IKBKBCDK2CDK1CDK9CCNA2
SCHEMBL3517902 0.79 IKBKB (0.56) IKBKBDKK1GSK3BCDK2CCNT1
SCHEMBL3520305 0.79 IKBKB (0.70) IKBKBDKK1GSK3BCDK2CCNT1
SCHEMBL3518836 0.79 IKBKB (0.69) IKBKBDKK1GSK3BCDK2CCNT1
SCHEMBL8258616 0.78 IKBKB (0.61) IKBKBDKK1GSK3BCDK2CCNT1

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 6 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-20090048282-A1 PYRIMIDINE SULFONAMIDE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-19 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-20090048282-A1 PYRIMIDINE SULFONAMIDE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-19 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 (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-20090048282-A1 PYRIMIDINE SULFONAMIDE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WNT1, CTNNB1, WNT3A IKBKB 1593/4885DKK1 11/4885GSK3B 263/4885
US-20060079543-A1 Anilino-pyrimidine analogs DPYD, TYMP, ADORA3 IKBKB 3246/4885DKK1 2975/4885GSK3B 2108/4885

“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.