SCHEMBL1922133

SCHEMBL1922133

Cc1ccc(Nc2cccc3c2CCN(CCS(C)(=O)=O)C3)cc1-c1ccc(Cl)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD9 Q9H8M2 3/20 0.36
▸ KAT2B Q92831 1/20 0.36
▸ JAK2 O60674 8/20 0.35
▸ JAK3 P52333 8/20 0.35
▸ PTK2 Q05397 8/20 0.35
▸ CARM1 Q86X55 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ HTR1A P08908 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ HRH1 P35367 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ SMO Q99835 2/20 0.33
▸ AGPAT2 O15120 1/20 0.33
▸ ALK Q9UM73 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ GRM2 Q14416 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
SCHEMBL303994 0.92 JAK2 (0.37) BRD9KAT2BJAK2JAK3PTK2
SCHEMBL1921911 0.90 JAK2 (0.37) BRD9KAT2BJAK2JAK3PTK2
SCHEMBL27950035 0.90 JAK2 (0.35) BRD9KAT2BJAK2JAK3PTK2
SCHEMBL303738 0.88 JAK2 (0.34) BRD9JAK2JAK3PTK2CARM1
SCHEMBL304368 0.88 JAK2 (0.42) BRD9JAK2JAK3PTK2CARM1
SCHEMBL305399 0.88 CARM1 (0.39) BRD9JAK2JAK3PTK2CARM1
SCHEMBL1923953 0.87 JAK2 (0.39) BRD9JAK2JAK3PTK2CARM1
SCHEMBL305387 0.86 JAK2 (0.37) BRD9KAT2BJAK2JAK3BRD4
SCHEMBL1921771 0.86 JAK2 (0.39) BRD9JAK2JAK3PTK2CARM1
SCHEMBL1922040 0.85 JAK2 (0.40) BRD9KAT2BJAK2JAK3PTK2

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
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
EP-2328871-A2 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2011-06-08 — — EP 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 576/4885KAT2B 684/4885JAK2 570/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO BRD9 613/4885KAT2B 1090/4885JAK2 303/4885

“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.

Send feedback