SCHEMBL1921884

SCHEMBL1921884

Cc1ccc(Nc2cccc3c2CCN(C2CCS(=O)(=O)C2)C3)cc1-c1ncc(F)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 3/20 0.36
BRD9 Q9H8M2 3/20 0.34
BRD4 O60885 1/20 0.34
ADRA2C P18825 2/20 0.32
P2RX7 Q99572 1/20 0.32
KAT2B Q92831 1/20 0.32
GAA P10253 1/20 0.32
CSF1R P07333 1/20 0.32
CDK4 P11802 1/20 0.32
CDK6 Q00534 1/20 0.32
CCNT1 O60563 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
CDK9 P50750 1/20 0.31
KCNJ6 P48051 1/20 0.30
KCNJ3 P48549 1/20 0.30
TSHR P16473 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30

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
SCHEMBL2031247 0.94 HTR5A (0.37) HTR5ABRD9BRD4ADRA2CP2RX7
SCHEMBL305492 0.92 PIK3CA (0.34) BRD9BRD4P2RX7CSF1RCDK4
SCHEMBL2026934 0.92 PIK3CA (0.34) BRD9BRD4P2RX7CSF1RCDK4
SCHEMBL306387 0.92 PIK3CA (0.34) BRD9BRD4P2RX7CSF1RCDK4
SCHEMBL1924064 0.89 NAMPT (0.34) BRD9BRD4P2RX7KAT2BGAA
SCHEMBL2030078 0.87 PIK3CA (0.35) BRD9BRD4P2RX7KAT2BCSF1R
SCHEMBL1923839 0.86 BRD9 (0.35) BRD9BRD4KAT2BTSHRPDE4A
SCHEMBL1922118 0.85 NAMPT (0.34) BRD9BRD4KAT2BKCNJ6KCNJ3
SCHEMBL2030372 0.85 NAMPT (0.34) BRD9BRD4KAT2BKCNJ6KCNJ3
SCHEMBL2028548 0.85 NAMPT (0.34) BRD9BRD4KAT2BKCNJ6KCNJ3

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 19 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
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
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 HTR5A 3293/4885BRD9 576/4885BRD4 520/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO HTR5A 3526/4885BRD9 613/4885BRD4 622/4885

“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.