SCHEMBL1921395

SCHEMBL1921395

CCOc1ccc(-c2nc(Nc3cccc4c3CCN(S(=O)(=O)C(C)C)C4)ccc2C)nn1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.35
MAPT P10636 5/20 0.34
TP53 P04637 2/20 0.34
BRD9 Q9H8M2 2/20 0.33
BRD4 O60885 1/20 0.33
POLB P06746 2/20 0.32
ALOX5 P09917 1/20 0.32
LMNA P02545 1/20 0.31
GRM5 P41594 1/20 0.30
EDNRA P25101 1/20 0.30

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
SCHEMBL1921799 0.92 BRD9 (0.34) MAP3K5BRD9BRD4GRM5
SCHEMBL1921396 0.89 MAPT (0.34) MAP3K5MAPTTP53BRD9BRD4
SCHEMBL1922554 0.89 MAP3K5 (0.35) MAP3K5MAPTTP53BRD9BRD4
SCHEMBL1921685 0.85 BRD9 (0.34) MAP3K5MAPTBRD9BRD4ALOX5
SCHEMBL1921803 0.82 MAPT (0.39) MAP3K5MAPTBRD9BRD4ALOX5
SCHEMBL2026397 0.80 BRD9 (0.35) MAP3K5MAPTTP53BRD9BRD4
SCHEMBL2029197 0.80 BRD9 (0.33) MAPTBRD9BRD4ALOX5
SCHEMBL1922145 0.80 JAK2 (0.36) MAPTTP53BRD9BRD4ALOX5
SCHEMBL1922174 0.78 PDE4A (0.32) BRD9BRD4ALOX5
SCHEMBL1922559 0.78 BRD9 (0.34) MAP3K5MAPTTP53BRD9BRD4

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 17 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-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-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-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
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 MAP3K5 852/4885MAPT 4224/4885TP53 618/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO MAP3K5 782/4885MAPT 4518/4885TP53 662/4885

“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.