SCHEMBL3500448

SCHEMBL3500448

Cc1ccc(S(=O)(=O)n2cc(Br)c3cc(C)cnc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
PTPN11 Q06124 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
POLB P06746 1/20 0.41
ALDH3A1 P30838 1/20 0.41
HTT P42858 1/20 0.41
NOD1 Q9Y239 1/20 0.41
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.39
UBE2N P61088 1/20 0.39
BRD4 O60885 1/20 0.39
ABL1 P00519 2/20 0.39
BCR P11274 2/20 0.39
PKM P14618 1/20 0.39
ENPP3 O14638 1/20 0.37
ENPP1 P22413 1/20 0.37
MAPT P10636 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.37
HTR6 P50406 1/20 0.36

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
SCHEMBL29605488 1.00 CA1 (0.49) CA1CA2PTPN11L3MBTL1POLB
SCHEMBL29604793 0.88 CA1 (0.46) CA1CA2PTPN11L3MBTL1POLB
SCHEMBL29604791 0.88 CA1 (0.46) CA1CA2PTPN11L3MBTL1POLB
SCHEMBL26969444 0.88 CA1 (0.46) CA1CA2PTPN11L3MBTL1POLB
SCHEMBL20292926 0.88 CA1 (0.46) CA1CA2PTPN11L3MBTL1POLB
SCHEMBL14685251 0.88 CA1 (0.46) CA1CA2PTPN11L3MBTL1POLB
SCHEMBL29604917 0.88 CA1 (0.46) CA1CA2PTPN11L3MBTL1POLB
SCHEMBL1666223 0.88 CA1 (0.46) CA1CA2PTPN11L3MBTL1POLB
SCHEMBL18053332 0.86 HTR6 (0.44) CA1CA2PTPN11L3MBTL1POLB
SCHEMBL4163963 0.85 PTPN11 (0.52) CA1CA2PTPN11L3MBTL1POLB

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230416256-A1 SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE JANSSEN PHARAMCEUTICA NV (BE) 2023-12-28 US disclosed
EP-4244224-A1 SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE JANSSEN Pharmaceutica NV (BE) 2023-09-20 EP disclosed
WO-2022104348-A1 SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2022-05-19 WO disclosed
US-10023569-B2 Methods of preparing inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-07-17 US disclosed
US-20160251354-A1 METHODS OF PREPARING INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2016-09-01 US disclosed
US-8962642-B2 5-cyano-4- (pyrrolo [2,3B] pyridine-3-yl) -pyrimidine derivatives useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-02-24 US disclosed
US-8962642-B2 5-cyano-4- (pyrrolo [2,3B] pyridine-3-yl) -pyrimidine derivatives useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-02-24 US disclosed
US-8962642-B2 5-cyano-4- (pyrrolo [2,3B] pyridine-3-yl) -pyrimidine derivatives useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-02-24 US disclosed
EP-2815750-A1 5-cyano-4-(pyrrolo [2,3b] pyridine-3-yl)-pyrimidine derivatives useful as protein kinase inhibitors Vertex Pharmaceuticals Incorporated (US) 2014-12-24 EP disclosed
EP-2815750-A1 5-cyano-4-(pyrrolo [2,3b] pyridine-3-yl)-pyrimidine derivatives useful as protein kinase inhibitors Vertex Pharmaceuticals Incorporated (US) 2014-12-24 EP disclosed
US-20120309963-A1 5-CYANO-4- (PYRROLO [2,3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-06 US disclosed
US-20120309963-A1 5-CYANO-4- (PYRROLO [2,3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-06 US disclosed
US-8247421-B2 5-cyano-4-(pyrrolo [2,3B] pyridine-3-yl)-pyrimidine derivatives useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-21 US disclosed
US-8247421-B2 5-cyano-4-(pyrrolo [2,3B] pyridine-3-yl)-pyrimidine derivatives useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-21 US disclosed
US-8247421-B2 5-cyano-4-(pyrrolo [2,3B] pyridine-3-yl)-pyrimidine derivatives useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-21 US disclosed
US-20100189773-A1 5-CYANO-4- (PYRROLO [2,3] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2010-07-29 US disclosed
US-20100189773-A1 5-CYANO-4- (PYRROLO [2,3] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2010-07-29 US disclosed
US-20100189773-A1 5-CYANO-4- (PYRROLO [2,3] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2010-07-29 US disclosed
EP-2124951-A1 5-CYAN0-4- (PYRROLO Ý2, 3B¨PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2009-12-02 EP disclosed
WO-2008079346-A1 5-CYAN0-4- (PYRROLO [2, 3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 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 (5 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-20230416256-A1 SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE NFKBIA, IKBKB, NFRKB CA1 4775/4885CA2 4577/4885PTPN11 499/4885
US-20100189773-A1 5-CYANO-4- (PYRROLO [2,3] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS MAP3K5, CDK5, MAP3K20 CA1 4556/4885CA2 1699/4885PTPN11 799/4885
US-10023569-B2 Methods of preparing inhibitors of influenza viruses replication ZC3HAV1, ZC3HAV1L, POLR2H CA1 655/4885CA2 307/4885PTPN11 1607/4885
US-20160251354-A1 METHODS OF PREPARING INHIBITORS OF INFLUENZA VIRUSES REPLICATION ZC3HAV1, ZC3HAV1L, POLR2H CA1 655/4885CA2 307/4885PTPN11 1607/4885
US-20120309963-A1 5-CYANO-4- (PYRROLO [2,3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS MAP3K5, CDK5, MAP4K2 CA1 4570/4885CA2 1771/4885PTPN11 806/4885

“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.