SCHEMBL1921904

SCHEMBL1921904

Cc1ccc(-c2nc(Nc3cccc4c3CCN(CCS(C)(=O)=O)C4)ccc2C)nc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.38
CDK2 P24941 1/20 0.38
CDK6 Q00534 1/20 0.38
FLT3 P36888 1/20 0.37
BRD9 Q9H8M2 3/20 0.36
BRD4 O60885 1/20 0.36
SMO Q99835 6/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
GAA P10253 1/20 0.34
KAT2B Q92831 1/20 0.34
CARM1 Q86X55 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
HTR7 P34969 1/20 0.32
LMNA P02545 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL1921434 0.93 SMO (0.44) CDK4CDK2CDK6FLT3BRD9
SCHEMBL1922420 0.89 CDK4 (0.38) CDK4CDK2CDK6FLT3BRD9
SCHEMBL1921808 0.85 JAK2 (0.39) BRD9BRD4SMOKAT2BLMNA
SCHEMBL303994 0.84 JAK2 (0.37) BRD9BRD4SMOMEN1KMT2A
SCHEMBL2024897 0.84 CDK4 (0.38) CDK4CDK2CDK6FLT3BRD9
SCHEMBL303379 0.78 SMO (0.44) BRD9BRD4SMOKAT2BLMNA
SCHEMBL1921865 0.77 JAK2 (0.38) CDK4CDK2CDK6BRD9BRD4
SCHEMBL1921965 0.77 BRD9 (0.36) BRD9BRD4SMOKAT2B
SCHEMBL304524 0.77 BRD9 (0.37) BRD9BRD4MEN1KMT2AGAA
SCHEMBL1921911 0.76 JAK2 (0.37) CDK4CDK2CDK6BRD9BRD4

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 20 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
CN-102203067-B Hedgehog pathway modulators IRM LLC 2014-01-15 CN 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
EP-2328871-B1 HEDGEHOG PATHWAY MODULATORS NOVARTIS AG (CH) 2020-04-01 EP 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-9216964-B2 Hedgehog pathway modulators NOVARTIS AG (CH) 2015-12-22 US disclosed
CN-102203067-B Hedgehog pathway modulators IRM LLC 2014-01-15 CN 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 CDK4 832/4885CDK2 1170/4885CDK6 688/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO CDK4 592/4885CDK2 814/4885CDK6 576/4885

“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.