SCHEMBL16042802

SCHEMBL16042802

O=S(=O)(c1ccccc1)n1c(I)cc2c(Cl)c(F)cnc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.39
SLC40A1 Q9NP59 1/20 0.38
PTGDR2 Q9Y5Y4 6/20 0.36
BRD4 O60885 1/20 0.35
ALDH3A1 P30838 3/20 0.34
DAO P14920 1/20 0.33
DDO Q99489 1/20 0.33
DCTPP1 Q9H773 1/20 0.33
CCKAR P32238 1/20 0.33
TET2 Q6N021 1/20 0.33
PTGDR Q13258 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
CXCL8 P10145 1/20 0.32
NOD1 Q9Y239 1/20 0.32
PKM P14618 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP3A5 P20815 1/20 0.32

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
SCHEMBL1749189 0.88 PTGDR2 (0.37) PTGDR2ALDH3A1CCKARALDH1A1LMNA
SCHEMBL5002087 0.85 SRC (0.39) SRCPTGDR2BRD4ALDH3A1DCTPP1
SCHEMBL21470469 0.85 SRC (0.39) SRCPTGDR2BRD4ALDH3A1CCKAR
SCHEMBL29772734 0.85 SRC (0.39) SRCPTGDR2BRD4ALDH3A1CCKAR
SCHEMBL16977994 0.85 PTGDR2 (0.40) SRCSLC40A1PTGDR2BRD4ALDH3A1
SCHEMBL16982119 0.84 PTGDR2 (0.39) SRCSLC40A1PTGDR2BRD4ALDH1A1
SCHEMBL5661951 0.78 ENPP3 (0.44) SRCSLC40A1PTGDR2ALDH3A1ALDH1A1
SCHEMBL5004901 0.78 SRC (0.41) SRCPTGDR2ALDH3A1DCTPP1ALDH1A1
SCHEMBL30751165 0.78 ENPP3 (0.44) SRCSLC40A1PTGDR2ALDH3A1ALDH1A1
SCHEMBL16041786 0.75 CYP2C19 (0.48) SLC40A1ALDH1A1LMNAHTTPKM

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 6 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
US-9073922-B2 Pyrrolo[2,3-B]pyridine CDK9 kinase inhibitors ABBVIE, INC. (US) 2015-07-07 US disclosed
WO-2014139328-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2014-09-18 WO disclosed
US-20140275027-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. 2014-09-18 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-20160060257-A1 PYRROLO [2,3-B] PYRIDINE CDK9 KINASE INHIBITORS CDK9, CDK19, CDK3 SRC 616/4885SLC40A1 4703/4885PTGDR2 590/4885
US-20140275027-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS CDK9, CDK19, CDK3 SRC 479/4885SLC40A1 4570/4885PTGDR2 667/4885

“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.