SCHEMBL17492736

SCHEMBL17492736

CS(=O)(=O)Cc1ccc(Nc2ccc(Cl)cc2)c(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.50
P2RX3 P56373 2/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 2/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 2/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
F10 P00742 1/20 0.37
POLB P06746 1/20 0.36
KIF11 P52732 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
SCHEMBL17492516 0.86 BRD4 (0.50) BRD4CA12CA1CA2CA9
SCHEMBL21191092 0.86 BRD4 (0.48) BRD4CA1CA2MEN1KMT2A
SCHEMBL17492779 0.83 BRD4 (0.39) BRD4CA1CA2MAPTALDH1A1
SCHEMBL17492543 0.80 P2RX3 (0.52) BRD4P2RX3CA12CA1CA2
SCHEMBL17492848 0.78 GSK3B (0.45) CA12CA1CA2CA9MEN1
SCHEMBL21190848 0.75 BRD4 (0.44) BRD4P2RX3CA12CA1CA2
SCHEMBL17197474 0.75 MAPT (0.45) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL30045214 0.75 MAPT (0.45) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL16009256 0.74 BRD4 (0.51) BRD4CA12CA1CA2CA9
SCHEMBL1678837 0.73 L3MBTL1 (0.50) P2RX3MEN1KMT2AALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070756-A1 TETRACYCLIC BROMODOMAIN INHIBITORS ABBVIE INC (US) 2021-03-11 US disclosed
US-20200291027-A1 TETRACYCLIC BROMODOMAIN INHIBITORS ABBVIE INC (US) 2020-09-17 US disclosed
EP-3539962-A1 TETRACYCLIC BROMODOMAIN INHIBITORS AbbVie Inc. (US) 2019-09-18 EP disclosed
EP-2970330-B1 TETRACYCLIC BROMODOMAIN INHIBITORS ABBVIE INC (US) 2019-04-17 EP disclosed
US-20180298003-A1 TETRACYCLIC BROMODOMAIN INHIBITORS ABBVIE INC (US) 2018-10-18 US disclosed
US-10035800-B2 Substituted 1,4,10-triazadibenzo[cd,f]azulenes, substituted 1,4,5,10-tetraazadibenzo[cd,f]azulenes and substituted 1,4,5,7,10-pentaazadibenzo[cd,f]azulenes as bromodomain inhibitors ABBVIE INC. (US) 2018-07-31 US disclosed
US-20160039821-A1 TETRACYCLIC BROMODOMAIN INHIBITORS ABBVIE INC. 2016-02-11 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 (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-10035800-B2 Substituted 1,4,10-triazadibenzo[cd,f]azulenes, substituted 1,4,5,10-tetraazadibenzo[cd,f]azulenes and substituted 1,4,5,7,10-pentaazadibenzo[cd,f]azulenes as bromodomain inhibitors BRD1, BRD3, BRD4 BRD4 3/4885P2RX3 671/4885CA12 1495/4885
US-20180298003-A1 TETRACYCLIC BROMODOMAIN INHIBITORS BRD3, BRD4, BRD1 BRD4 2/4885P2RX3 1857/4885CA12 2677/4885
US-20200291027-A1 TETRACYCLIC BROMODOMAIN INHIBITORS BRD3, BRD4, BRD1 BRD4 2/4885P2RX3 1857/4885CA12 2677/4885
US-20210070756-A1 TETRACYCLIC BROMODOMAIN INHIBITORS BRD3, BRD4, BRD1 BRD4 2/4885P2RX3 1857/4885CA12 2677/4885
US-20160039821-A1 TETRACYCLIC BROMODOMAIN INHIBITORS BRD3, BRD4, BRD1 BRD4 2/4885P2RX3 1688/4885CA12 2775/4885

“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.