SCHEMBL2430554

SCHEMBL2430554

NS(=O)(=O)c1cccc(Nc2ncc3c(n2)-c2cc(Br)sc2CC3)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 13/20 0.58
CDK1 P06493 12/20 0.58
CCNT1 O60563 10/20 0.58
CCNB1 P14635 10/20 0.58
CDK9 P50750 10/20 0.58
CCNA2 P20248 8/20 0.58
CCNE1 P24864 5/20 0.58
CDK5 Q00535 5/20 0.58
CDK5R1 Q15078 3/20 0.58
FLT3 P36888 2/20 0.58
CCND3 P30281 1/20 0.58
CDK6 Q00534 1/20 0.58
IKBKB O14920 6/20 0.56
CDK7 P50613 7/20 0.48
CCNH P51946 7/20 0.48
CCNA1 P78396 6/20 0.48
CCNE2 O96020 4/20 0.47
CCNB2 O95067 3/20 0.47
CCNB3 Q8WWL7 3/20 0.47
CDC7 O00311 2/20 0.47

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
SCHEMBL1037588 0.87 CDK2 (0.56) CDK2CDK1CCNT1CCNB1CDK9
SCHEMBL27650240 0.86 CCNT1 (0.55) CDK2CDK1CCNT1CCNB1CDK9
SCHEMBL2433578 0.85 IKBKB (0.77) CDK2CDK1CCNT1CCNB1CDK9
SCHEMBL11295767 0.84 CDK2 (0.53) CDK2CDK1CCNT1CCNB1CDK9
SCHEMBL11295549 0.84 IKBKB (0.56) CDK2CDK1CCNT1CCNB1CDK9
SCHEMBL11297606 0.84 IKBKB (0.54) CDK2CDK1CCNT1CCNB1CDK9
SCHEMBL11294090 0.84 CDK2 (0.53) CDK2CDK1CCNT1CCNB1CDK9
SCHEMBL11294087 0.83 CCNT1 (0.52) CDK2CDK1CCNT1CCNB1CDK9
SCHEMBL11294889 0.83 IKBKB (0.53) CDK2CDK1CCNT1CCNB1CDK9
SCHEMBL13591728 0.83 CCNT1 (0.52) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288400-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-16 US disclosed
US-8288400-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-16 US disclosed
US-8288400-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-16 US disclosed
US-20120183577-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-19 US disclosed
US-20120183577-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-19 US disclosed
US-20120183577-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-19 US disclosed
US-8017619-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-13 US disclosed
US-8017619-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-13 US disclosed
US-8017619-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-13 US disclosed
US-20100280026-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-04 US disclosed
US-20100280026-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-04 US disclosed
US-20100280026-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-04 US disclosed
US-7700609-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-20 US disclosed
US-7700609-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-20 US disclosed
US-7700609-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-20 US disclosed
EP-1692140-B1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2009-12-09 EP disclosed
US-20050148603-A1 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2005-07-07 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 (3 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-20100280026-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K1, MAP3K6 CDK2 65/4885CDK1 73/4885CCNT1 957/4885
US-20050148603-A1 Compositions useful as inhibitors of protein kinases MAP3K20, MAP3K1, MAP3K6 CDK2 65/4885CDK1 73/4885CCNT1 957/4885
US-20120183577-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K1, MAP3K6 CDK2 65/4885CDK1 73/4885CCNT1 957/4885

“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.