SCHEMBL3622441

SCHEMBL3622441

Cc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1-c1ccnc2[nH]ccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.59
CHUK O15111 2/20 0.59
CDK2 P24941 4/20 0.55
CDK1 P06493 4/20 0.55
CCNT1 O60563 3/20 0.55
CCNB1 P14635 3/20 0.55
CDK9 P50750 3/20 0.55
CCNA2 P20248 2/20 0.55
CDK7 P50613 2/20 0.55
CCNH P51946 2/20 0.55
CCNA1 P78396 1/20 0.55
JAK3 P52333 6/20 0.52
JAK1 P23458 5/20 0.52
SYK P43405 4/20 0.51
LYN P07948 3/20 0.51
BTK Q06187 3/20 0.51
TXK P42681 2/20 0.51
TNNI3K Q59H18 1/20 0.50
CCNE2 O96020 1/20 0.49
CCNE1 P24864 1/20 0.49

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
SCHEMBL3619870 0.89 CDK1 (0.54) IKBKBCHUKCDK2CDK1CCNT1
SCHEMBL3620405 0.88 CDK1 (0.55) CDK2CDK1CCNT1CCNB1CDK9
SCHEMBL3622475 0.85 CDK2 (0.52) CDK2CDK1CCNT1CCNB1CDK9
SCHEMBL3621559 0.85 CDK2 (0.54) CDK2CDK1CCNT1CCNB1CDK9
SCHEMBL3622052 0.85 CDK2 (0.54) CDK2CDK1CCNT1CCNB1CDK9
SCHEMBL3623248 0.80 SYK (0.63) CDK2CDK1CCNT1CCNB1CDK9
SCHEMBL3607870 0.80 JAK1 (0.50) CDK2CDK1CCNT1CCNB1CDK9
SCHEMBL3612317 0.79 CDK2 (0.56) CDK2CDK1CCNT1CCNB1CDK9
SCHEMBL3620313 0.78 CDK1 (0.55) CDK2CDK1CCNT1CCNB1CDK9
SCHEMBL3615782 0.78 CDK1 (0.49) CDK2CDK1CCNT1CCNB1CDK9

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-20100093776-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-04-15 US disclosed
US-20100093776-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-04-15 US disclosed
US-20100093776-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-04-15 US disclosed
WO-2008079918-A1 INDOL-4-YL-PYRIMIDINYL-2-YL-AMINE DERIVATIVES AND USE THEREOF AS CYCLIN DEPENDANT KINASE INHIBITORS NOVARTIS AG (CH) 2008-07-03 WO 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-20100093776-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 IKBKB 1768/4885CHUK 2165/4885CDK2 3078/4885

“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.