SCHEMBL1924064

SCHEMBL1924064

Cc1ccc(Nc2cccc3c2CCN(C2CCS(=O)(=O)C2)C3)cc1-c1ccc(F)cn1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.34
BRD9 Q9H8M2 3/20 0.34
BRD4 O60885 1/20 0.34
GAA P10253 1/20 0.33
ABL1 P00519 3/20 0.32
KAT2B Q92831 1/20 0.32
P2RX7 Q99572 1/20 0.31
KCNJ6 P48051 1/20 0.30
KCNJ3 P48549 1/20 0.30
SRC P12931 1/20 0.30
BTK Q06187 1/20 0.30
GRM5 P41594 1/20 0.30
DGAT2 Q96PD7 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
PDE4D Q08499 1/20 0.30
EGFR P00533 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
SCHEMBL2032777 0.95 BRD9 (0.35) NAMPTBRD9BRD4ABL1KAT2B
SCHEMBL1922118 0.93 NAMPT (0.34) NAMPTBRD9BRD4ABL1KAT2B
SCHEMBL2028548 0.93 NAMPT (0.34) NAMPTBRD9BRD4ABL1KAT2B
SCHEMBL2030372 0.93 NAMPT (0.34) NAMPTBRD9BRD4ABL1KAT2B
SCHEMBL303347 0.90 BRD4 (0.33) NAMPTBRD9BRD4KAT2BDGAT2
SCHEMBL1921884 0.89 HTR5A (0.36) BRD9BRD4GAAKAT2BP2RX7
SCHEMBL12642049 0.88 ABL1 (0.34) NAMPTBRD9BRD4ABL1KAT2B
SCHEMBL2025699 0.88 BRD9 (0.35) NAMPTBRD9BRD4ABL1KAT2B
SCHEMBL2028480 0.87 HTT (0.36) NAMPTBRD9BRD4KAT2BPDE4A
SCHEMBL1921885 0.86 ADRA2C (0.32) BRD9BRD4ABL1GRM5

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 14 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
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 NAMPT 4033/4885BRD9 576/4885BRD4 520/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO NAMPT 4234/4885BRD9 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.