SCHEMBL3500880

SCHEMBL3500880

Cc1ccc(S(=O)(=O)n2ccc3cc(C)cnc32)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.66
RAPGEF4 Q8WZA2 4/20 0.49
PKM P14618 2/20 0.48
CYP2C19 P33261 1/20 0.48
BRD4 O60885 1/20 0.47
ENPP3 O14638 1/20 0.44
ENPP1 P22413 1/20 0.44
POLB P06746 1/20 0.43
ALDH3A1 P30838 1/20 0.43
HTT P42858 1/20 0.43
NOD1 Q9Y239 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
HTR6 P50406 2/20 0.42
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39

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
SCHEMBL1958833 0.90 CYP2C19 (0.61) L3MBTL1RAPGEF4PKMCYP2C19BRD4
SCHEMBL29605995 0.87 L3MBTL1 (0.61) L3MBTL1RAPGEF4PKMCYP2C19BRD4
SCHEMBL12696586 0.87 L3MBTL1 (0.61) L3MBTL1RAPGEF4PKMCYP2C19BRD4
SCHEMBL28383297 0.87 L3MBTL1 (0.61) L3MBTL1RAPGEF4PKMCYP2C19BRD4
SCHEMBL28325512 0.87 L3MBTL1 (0.61) L3MBTL1RAPGEF4PKMCYP2C19BRD4
SCHEMBL1713486 0.87 L3MBTL1 (0.61) L3MBTL1RAPGEF4PKMCYP2C19BRD4
SCHEMBL14487894 0.87 L3MBTL1 (0.61) L3MBTL1RAPGEF4PKMCYP2C19BRD4
SCHEMBL1749037 0.87 L3MBTL1 (0.61) L3MBTL1RAPGEF4PKMCYP2C19BRD4
SCHEMBL15091424 0.85 L3MBTL1 (0.59) L3MBTL1RAPGEF4PKMCYP2C19BRD4
SCHEMBL14612538 0.85 L3MBTL1 (0.59) L3MBTL1RAPGEF4PKMCYP2C19BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3141548-B1 PROCESSES AND INTERMEDIATES FOR PRODUCING AZAINDOLES VERTEX PHARMA (US) 2020-04-08 EP disclosed
US-10023569-B2 Methods of preparing inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-07-17 US disclosed
US-9499551-B2 Substituted pyrrolo[2,3-b]pyridines for treating cancer or inflammatory diseases CONFLUENCE LIFE SCIENCES, INC. (US) 2016-11-22 US disclosed
US-20160251354-A1 METHODS OF PREPARING INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2016-09-01 US disclosed
US-20150210705-A1 SUBSTITUTED PYRROLOPYRIDINES AND PYRROLOPYRAZINES FOR TREATING CANCER OR INFLAMMATORY DISEASES ACLARIS THERAPEUTICS, INC. 2015-07-30 US disclosed
US-8987454-B2 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-03-24 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
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
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
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-20150210705-A1 SUBSTITUTED PYRROLOPYRIDINES AND PYRROLOPYRAZINES FOR TREATING CANCER OR INFLAMMATORY DISEASES TPMT, MALT1, IRAK4 L3MBTL1 4318/4885RAPGEF4 2252/4885PKM 332/4885
US-20100189773-A1 5-CYANO-4- (PYRROLO [2,3] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS MAP3K5, CDK5, MAP3K20 L3MBTL1 3832/4885RAPGEF4 969/4885PKM 301/4885
US-10023569-B2 Methods of preparing inhibitors of influenza viruses replication ZC3HAV1, ZC3HAV1L, POLR2H L3MBTL1 3307/4885RAPGEF4 961/4885PKM 801/4885
US-20160251354-A1 METHODS OF PREPARING INHIBITORS OF INFLUENZA VIRUSES REPLICATION ZC3HAV1, ZC3HAV1L, POLR2H L3MBTL1 3307/4885RAPGEF4 961/4885PKM 801/4885
US-20120309963-A1 5-CYANO-4- (PYRROLO [2,3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS MAP3K5, CDK5, MAP4K2 L3MBTL1 3770/4885RAPGEF4 994/4885PKM 312/4885

“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.