SCHEMBL2030886

SCHEMBL2030886

CCOc1ccc(-c2cc(Nc3cccc4c3CCN(CCS(=O)(=O)CC)C4)ccc2C)nn1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.37
▸ POLB P06746 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ JAK2 O60674 2/20 0.34
▸ JAK3 P52333 2/20 0.34
▸ PTK2 Q05397 2/20 0.34
▸ CARM1 Q86X55 1/20 0.34
▸ RAF1 P04049 2/20 0.34
▸ BRAF P15056 2/20 0.34
▸ BRD9 Q9H8M2 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ BRD4 O60885 1/20 0.33
▸ P2RY1 P47900 1/20 0.33
▸ KAT2B Q92831 1/20 0.31
▸ SRC P12931 1/20 0.31
▸ HTR7 P34969 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
SCHEMBL1922098 0.94 JAK2 (0.40) MAPTPOLBTP53JAK2JAK3
SCHEMBL2032269 0.94 CARM1 (0.35) MAPTJAK2JAK3PTK2CARM1
SCHEMBL1921985 0.87 JAK2 (0.39) MAPTJAK2JAK3PTK2CARM1
SCHEMBL2030732 0.86 MAPT (0.39) MAPTPOLBTP53JAK2JAK3
SCHEMBL304524 0.86 BRD9 (0.37) JAK2JAK3PTK2CARM1BRAF
SCHEMBL305275 0.84 BRD9 (0.36) MAPTPOLBJAK2JAK3PTK2
SCHEMBL1922040 0.83 JAK2 (0.40) JAK2JAK3PTK2CARM1RAF1
SCHEMBL2025962 0.80 MAPT (0.33) MAPTPOLBTP53RAF1BRAF
SCHEMBL304998 0.80 P2RY1 (0.38) MAPTPOLBCARM1BRD9BRD4
SCHEMBL1922512 0.80 MAPT (0.33) MAPTPOLBTP53CARM1RAF1

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 16 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-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

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 MAPT 4224/4885POLB 4569/4885TP53 618/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO MAPT 4518/4885POLB 4345/4885TP53 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.

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