SCHEMBL1922432

SCHEMBL1922432

O=C1CCC(N2CCc3c(cccc3Nc3ccc(Cl)c(-c4ncc(-c5ccccc5)[nH]4)c3)C2)CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.41
KAT2B Q92831 1/20 0.33
BRD9 Q9H8M2 1/20 0.33
SCN2A Q99250 1/20 0.32
PRCP P42785 2/20 0.31
KDR P35968 1/20 0.31
PIM1 P11309 1/20 0.31
AXL P30530 1/20 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
SCHEMBL302292 0.94 SMO (0.43) SMOSCN2APRCP
SCHEMBL1921989 0.92 SMO (0.42) SMOSCN2APRCP
SCHEMBL1922090 0.92 SMO (0.42) SMOSCN2APRCP
SCHEMBL302505 0.92 SMO (0.43) SMOKAT2BBRD9SCN2A
SCHEMBL30090643 0.91 SMO (0.40) SMOKAT2BBRD9SCN2APRCP
SCHEMBL2029799 0.91 SMO (0.40) SMOKAT2BBRD9SCN2APRCP
SCHEMBL305512 0.91 SMO (0.44) SMOSCN2A
SCHEMBL1923378 0.91 SMO (0.43) SMOSCN2APRCP
SCHEMBL1921424 0.89 SMO (0.40) SMOSCN2APRCP
SCHEMBL304396 0.89 SMO (0.40) SMOAXL

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 SMO 3/4885KAT2B 684/4885BRD9 576/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO SMO 3/4885KAT2B 1090/4885BRD9 613/4885

“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.