SCHEMBL3401229

SCHEMBL3401229

CS(=O)(=O)c1ccc(-n2ccc3cnc(Cl)nc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
PTGS2 P35354 16/20 0.44
PTGS1 P23219 3/20 0.43
AURKA O14965 1/20 0.42
CDK4 P11802 1/20 0.42

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
SCHEMBL28316674 0.81 CYP19A1 (0.49) JAK2HDAC6AURKA
SCHEMBL28316669 0.78 JAK2 (0.40) JAK2HDAC6AURKA
SCHEMBL11916210 0.77 JAK2 (0.44) JAK2HDAC6AURKACDK4
SCHEMBL29650985 0.77 JAK2 (0.44) JAK2HDAC6AURKACDK4
SCHEMBL23093436 0.77 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL1657463 0.76 JAK2 (0.65) JAK2HDAC6PTGS2AURKACDK4
SCHEMBL17464105 0.75 SRC (0.39) JAK2AURKA
SCHEMBL1657524 0.74 AURKA (0.59) JAK2HDAC6PTGS2AURKACDK4
SCHEMBL23093152 0.74 PTGS2 (0.42) JAK2HDAC6PTGS2PTGS1
SCHEMBL29802485 0.74 PTGS2 (0.42) JAK2HDAC6PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220348590-A1 CYCLOOXYGENASE-2 INHIBITORS AND USES THEREOF THE BOARD INSTITUTE, INC. (US) 2022-11-03 US disclosed
EP-4027993-A1 CYCLOOXYGENASE-2 INHIBITORS AND USES THEREOF The Broad Institute Inc. (US) 2022-07-20 EP disclosed
WO-2021050700-A1 CYCLOOXYGENASE-2 INHIBITORS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2021-03-18 WO disclosed
WO-2021050700-A1 CYCLOOXYGENASE-2 INHIBITORS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2021-03-18 WO disclosed
US-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 US disclosed
US-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 US disclosed
EP-2247591-A1 PYRROLO [2, 3-D]PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS Novartis AG (CH) 2010-11-10 EP disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 US disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 US disclosed
WO-2009098236-A1 PYRROLO [2, 3-D] PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-08-13 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 (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-20220348590-A1 CYCLOOXYGENASE-2 INHIBITORS AND USES THEREOF PTGES2, PTGS2, PTGES JAK2 608/4885HDAC6 3230/4885PTGS2 2/4885
US-20090203688-A1 HETEROCYCLIC COMPOUNDS ABL1, JAK2, JAK1 JAK2 2/4885HDAC6 705/4885PTGS2 2188/4885

“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.