SCHEMBL1356567

SCHEMBL1356567

Cc1ccc(S(=O)(=O)n2c(I)cc3c(Cl)c(Cl)cnc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.39
ALDH3A1 P30838 2/20 0.39
POLB P06746 2/20 0.39
NOD1 Q9Y239 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD11B1 P28845 1/20 0.37
PKM P14618 3/20 0.37
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
NPC1 O15118 1/20 0.37
GBA1 P04062 1/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 1/20 0.35
CXCL8 P10145 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL17535141 0.90 ALDH3A1 (0.39) HTTALDH3A1POLBNOD1L3MBTL1
SCHEMBL20536259 0.88 ABL1 (0.42) HTTALDH3A1POLBNOD1L3MBTL1
SCHEMBL1749189 0.88 PTGDR2 (0.37) HTTALDH3A1POLBNOD1L3MBTL1
SCHEMBL28563225 0.84 MEN1 (0.39) HTTALDH3A1POLBNOD1L3MBTL1
SCHEMBL1749021 0.84 PTGDR2 (0.44) HTTALDH3A1POLBNOD1L3MBTL1
SCHEMBL5413878 0.81 NOD1 (0.39) HTTALDH3A1POLBNOD1L3MBTL1
SCHEMBL16977994 0.80 PTGDR2 (0.40) HTTALDH3A1L3MBTL1PTGDR2LMNA
SCHEMBL1749156 0.78 PTGDR2 (0.46) HTTALDH3A1POLBNOD1L3MBTL1
SCHEMBL1354815 0.78 CDK2 (0.39) HTTALDH1A1KDM4ENPSR1HSD11B1
SCHEMBL16051988 0.77 CCNT1 (0.46) POLBLMNAALDH1A1MAPT

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796708-B2 Pyrrolo [2,3-B] pyridine CDK9 kinase inhibitors ABBVIE INC. (US) 2017-10-24 US disclosed
US-20160060257-A1 PYRROLO [2,3-B] PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2016-03-03 US disclosed
EP-2970278-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS AbbVie Inc. (US) 2016-01-20 EP disclosed
EP-2970264-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS AbbVie Inc. (US) 2016-01-20 EP disclosed
US-9073922-B2 Pyrrolo[2,3-B]pyridine CDK9 kinase inhibitors ABBVIE, INC. (US) 2015-07-07 US disclosed
WO-2014151444-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2014-09-25 WO disclosed
US-20140275027-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. 2014-09-18 US disclosed
WO-2014139328-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2014-09-18 WO disclosed
EP-2569316-B1 PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE INHIBITORS OF KINASES ABBVIE INC (US) 2014-04-23 EP disclosed
EP-2569316-A1 PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE INHIBITORS OF KINASES Abbvie Inc. (US) 2013-03-20 EP disclosed
WO-2011143459-A1 PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-11-17 WO disclosed
US-20110281842-A1 PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-11-17 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-20160060257-A1 PYRROLO [2,3-B] PYRIDINE CDK9 KINASE INHIBITORS CDK9, CDK19, CDK3 HTT 4362/4885ALDH3A1 2381/4885POLB 156/4885
US-20110281842-A1 PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE INHIBITORS OF KINASES AURKA, AURKC, AURKB HTT 3562/4885ALDH3A1 2516/4885POLB 629/4885
US-20140275027-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS CDK9, CDK19, CDK3 HTT 4627/4885ALDH3A1 3103/4885POLB 325/4885

“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.