SCHEMBL12085463

SCHEMBL12085463

NS(=O)(=O)c1ccc(Nc2nc(NC3CCC3)c3cc[nH]c3n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 1/20 0.59
▸ CDK1 P06493 1/20 0.59
▸ CCNB1 P14635 1/20 0.59
▸ CDK2 P24941 1/20 0.59
▸ CDK7 P50613 1/20 0.59
▸ CDK9 P50750 1/20 0.59
▸ CCNH P51946 1/20 0.59
▸ CDK5 Q00535 1/20 0.59
▸ PAK4 O96013 4/20 0.58
▸ SYK P43405 3/20 0.58
▸ IRAK4 Q9NWZ3 1/20 0.54
▸ JAK3 P52333 10/20 0.51
▸ BTK Q06187 8/20 0.51
▸ MERTK Q12866 1/20 0.46

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
SCHEMBL12085285 0.96 PAK4 (0.60) CCNT1CDK1CCNB1CDK2CDK7
SCHEMBL12085309 0.86 IRAK4 (0.59) CCNT1CDK1CCNB1CDK2CDK7
SCHEMBL13048674 0.84 CDK2 (0.60) CCNT1CDK1CCNB1CDK2CDK7
SCHEMBL1068268 0.83 SYK (0.50) CCNT1CDK1CCNB1CDK2CDK7
SCHEMBL12085438 0.83 SYK (0.57) CCNT1CDK1CCNB1CDK2CDK7
SCHEMBL1017765 0.83 SYK (0.58) PAK4SYKIRAK4JAK3BTK
SCHEMBL14547888 0.83 SYK (0.62) PAK4SYKIRAK4JAK3BTK
SCHEMBL12085366 0.82 JAK3 (0.57) PAK4IRAK4JAK3BTKMERTK
SCHEMBL14666824 0.82 PAK4 (0.55) PAK4IRAK4JAK3BTKMERTK
SCHEMBL12085425 0.81 MERTK (0.66) PAK4IRAK4JAK3BTKMERTK

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-20130029944-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2013-01-31 — — US disclosed
US-8258144-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-09-04 — — US disclosed
US-20090298823-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 — — 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-20130029944-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK2 CCNT1 1565/4885CDK1 275/4885CCNB1 1818/4885
US-20090298823-A1 Inhibitors of protein kinases SYK, BTK, JAK2 CCNT1 1565/4885CDK1 275/4885CCNB1 1818/4885

“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.

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