SCHEMBL13524608

SCHEMBL13524608

Cc1ccnc(NC2CCN(S(C)(=O)=O)C2)n1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 5/20 0.57
CCNE1 P24864 10/20 0.50
CDK2 P24941 10/20 0.50
EIF2AK4 Q9P2K8 1/20 0.46
CCNT1 O60563 5/20 0.46
CDK4 P11802 5/20 0.46
CCND1 P24385 5/20 0.46
CDK9 P50750 5/20 0.46
CDK6 Q00534 5/20 0.46
JAK2 O60674 3/20 0.45
JAK3 P52333 3/20 0.45
MAPK3 P27361 1/20 0.45
CCNB2 O95067 2/20 0.43
CCNE2 O96020 2/20 0.43
CDK1 P06493 2/20 0.43
CCNB1 P14635 2/20 0.43
CDK5 Q00535 2/20 0.43
CDK5R1 Q15078 2/20 0.43
CCNB3 Q8WWL7 2/20 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
SCHEMBL84453 0.84 IKBKB (0.54) IKBKBCCNE1CDK2EIF2AK4CCNT1
SCHEMBL91448 0.83 IKBKB (0.52) IKBKBCCNE1CDK2CCNT1CDK4
SCHEMBL13524640 0.81 HRH4 (0.42) IKBKBCCNE1CDK2JAK2JAK3
SCHEMBL3647868 0.78 IKBKB (0.63) IKBKBCCNE1CDK2EIF2AK4CDK4
SCHEMBL3647310 0.78 IKBKB (0.63) IKBKBCCNE1CDK2EIF2AK4CDK4
SCHEMBL4510051 0.78 KCNH2 (0.61) IKBKBCCNE1CDK2CCNT1CDK4
SCHEMBL91487 0.77 CYP3A4 (0.47) CDK2JAK2JAK3MAPK3
SCHEMBL15829853 0.77 KDM4E (0.55) IKBKBCCNE1CDK2JAK2JAK3
SCHEMBL12367075 0.76 IKBKB (0.61) IKBKBCCNE1CDK2CDK4CCND1
SCHEMBL15185727 0.76 MAPK1 (0.50) IKBKBCCNE1CDK2

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-8865732-B2 Heterocyclic compounds and uses thereof NOVARTIS AG (CH) 2014-10-21 US disclosed
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof NOVARTIS AG (CH) 2013-08-15 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 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-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS IKBKB 541/4885CCNE1 353/4885CDK2 20/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS IKBKB 345/4885CCNE1 487/4885CDK2 34/4885

“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.