SCHEMBL1921685

SCHEMBL1921685

CCS(=O)(=O)N1CCc2c(cccc2Nc2ccc(C)c(-c3ccc(OC)nn3)n2)C1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 3/20 0.34
BRD4 O60885 1/20 0.33
P2RX7 Q99572 3/20 0.33
SCN9A Q15858 4/20 0.33
ALOX5 P09917 1/20 0.32
AKR1C3 P42330 1/20 0.32
MAPT P10636 2/20 0.31
TSHR P16473 1/20 0.31
KAT2B Q92831 1/20 0.31
MAP3K5 Q99683 3/20 0.31

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
SCHEMBL1921803 0.95 MAPT (0.39) BRD9BRD4SCN9AALOX5MAPT
SCHEMBL1921799 0.90 BRD9 (0.34) BRD9BRD4SCN9AAKR1C3KAT2B
SCHEMBL1921396 0.88 MAPT (0.34) BRD9BRD4ALOX5MAPTTSHR
SCHEMBL1921395 0.85 MAP3K5 (0.35) BRD9BRD4ALOX5MAPTMAP3K5
SCHEMBL2026397 0.83 BRD9 (0.35) BRD9BRD4P2RX7SCN9AALOX5
SCHEMBL1922559 0.78 BRD9 (0.34) BRD9BRD4ALOX5MAPTTSHR
SCHEMBL1922145 0.77 JAK2 (0.36) BRD9BRD4ALOX5MAPTKAT2B
SCHEMBL2029197 0.76 BRD9 (0.33) BRD9BRD4P2RX7ALOX5MAPT
SCHEMBL1921808 0.76 JAK2 (0.39) BRD9BRD4KAT2B
SCHEMBL1921729 0.75 RAF1 (0.35) SCN9AAKR1C3MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2328871-B1 HEDGEHOG PATHWAY MODULATORS NOVARTIS AG (CH) 2020-04-01 EP claimed
US-8507491-B2 Compounds and compositions as hedgehog pathway inhibitors IRM LLC (BM) 2013-08-13 US claimed
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2011-06-23 US claimed
US-9216964-B2 Hedgehog pathway modulators NOVARTIS AG (CH) 2015-12-22 US disclosed
US-9216964-B2 Hedgehog pathway modulators NOVARTIS AG (CH) 2015-12-22 US disclosed
US-20130296333-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2013-11-07 US disclosed
US-20130296333-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2013-11-07 US disclosed
US-8507491-B2 Compounds and compositions as hedgehog pathway inhibitors IRM LLC (BM) 2013-08-13 US disclosed
US-8507491-B2 Compounds and compositions as hedgehog pathway inhibitors IRM LLC (BM) 2013-08-13 US disclosed
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2011-06-23 US disclosed
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2011-06-23 US disclosed
EP-2328871-A2 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2011-06-08 EP disclosed
WO-2010027746-A2 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2010-03-11 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-20130296333-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO BRD9 576/4885BRD4 520/4885P2RX7 4008/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO BRD9 613/4885BRD4 622/4885P2RX7 4290/4885

“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.