SCHEMBL2032269

SCHEMBL2032269

CCS(=O)(=O)CCN1CCc2c(cccc2Nc2ccc(C)c(-c3ccc(OC)nn3)c2)C1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 2/20 0.35
HTR7 P34969 1/20 0.35
BRD9 Q9H8M2 3/20 0.34
BRD4 O60885 1/20 0.34
JAK2 O60674 3/20 0.33
JAK3 P52333 3/20 0.33
PTK2 Q05397 3/20 0.33
MAPT P10636 2/20 0.32
KAT2B Q92831 1/20 0.32
P2RY1 P47900 2/20 0.32
RAF1 P04049 1/20 0.32
BRAF P15056 1/20 0.32
MAOB P27338 1/20 0.31
ABCB1 P08183 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
USP2 O75604 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
SCHEMBL2030886 0.94 MAPT (0.37) CARM1HTR7BRD9BRD4JAK2
SCHEMBL1921985 0.93 JAK2 (0.39) CARM1HTR7BRD9BRD4JAK2
SCHEMBL1922098 0.88 JAK2 (0.40) CARM1BRD9JAK2JAK3PTK2
SCHEMBL304524 0.85 BRD9 (0.37) CARM1HTR7BRD9BRD4JAK2
SCHEMBL305275 0.84 BRD9 (0.36) CARM1HTR7BRD9BRD4JAK2
SCHEMBL1921729 0.83 RAF1 (0.35) JAK2JAK3MAPTRAF1BRAF
SCHEMBL1921771 0.82 JAK2 (0.39) CARM1HTR7BRD9BRD4JAK2
SCHEMBL304998 0.79 P2RY1 (0.38) CARM1BRD9BRD4MAPTKAT2B
SCHEMBL2030732 0.79 MAPT (0.39) JAK2JAK3MAPTRAF1BRAF
SCHEMBL1922040 0.78 JAK2 (0.40) CARM1BRD9BRD4JAK2JAK3

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 12 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
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-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

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 CARM1 473/4885HTR7 2893/4885BRD9 576/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO CARM1 824/4885HTR7 3114/4885BRD9 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.