SCHEMBL3620313

SCHEMBL3620313

Cc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1-c1cccc2[nH]cnc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 8/20 0.55
CDK2 P24941 8/20 0.55
CCNT1 O60563 7/20 0.55
CCNB1 P14635 7/20 0.55
CDK9 P50750 7/20 0.55
CCNA2 P20248 5/20 0.55
CDK7 P50613 4/20 0.55
CCNH P51946 4/20 0.55
CCNA1 P78396 3/20 0.55
JAK3 P52333 9/20 0.55
JAK1 P23458 8/20 0.55
SYK P43405 4/20 0.51
PIK3CD O00329 2/20 0.50
AURKA O14965 2/20 0.50
DCLK1 O15075 2/20 0.50
PIK3C2G O75747 2/20 0.50
PIK3CG P48736 2/20 0.50
AURKB Q96GD4 2/20 0.50
LRRK2 Q5S007 1/20 0.50
BTK Q06187 3/20 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
SCHEMBL3613897 0.85 CDK1 (0.57) CDK1CDK2CCNT1CCNB1CDK9
SCHEMBL3620405 0.84 CDK1 (0.55) CDK1CDK2CCNT1CCNB1CDK9
SCHEMBL3623248 0.82 SYK (0.63) CDK1CDK2CCNT1CCNB1CDK9
SCHEMBL3619732 0.82 CDK2 (0.53) CDK1CDK2CCNT1CCNB1CDK9
SCHEMBL3621559 0.79 CDK2 (0.54) CDK1CDK2CCNT1CCNB1CDK9
SCHEMBL3622052 0.79 CDK2 (0.54) CDK1CDK2CCNT1CCNB1CDK9
SCHEMBL3622441 0.78 IKBKB (0.59) CDK1CDK2CCNT1CCNB1CDK9
SCHEMBL3619870 0.77 CDK1 (0.54) CDK1CDK2CCNT1CCNB1CDK9
SCHEMBL3621478 0.77 CDK2 (0.54) CDK1CDK2CCNT1CCNB1CDK9
SCHEMBL3607870 0.77 JAK1 (0.50) CDK1CDK2CCNT1CCNB1CDK9

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-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

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 CDK1 3769/4885CDK2 3078/4885CCNT1 3196/4885

“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.