SCHEMBL1624787

SCHEMBL1624787

O=C(Nc1ccc(Cl)c(-c2ncc(-c3ccccc3)[nH]2)c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 1/20 0.59
KCNQ3 O43525 2/20 0.55
KCNQ2 O43526 2/20 0.55
KCNE1 P15382 2/20 0.55
KCNQ1 P51787 2/20 0.55
BRAF P15056 2/20 0.55
KCNQ5 Q9NR82 1/20 0.54
CSF1R P07333 4/20 0.53
JAK2 O60674 1/20 0.53
PDGFRB P09619 1/20 0.53
FGFR1 P11362 1/20 0.53
CYP2C9 P11712 1/20 0.53
EPHB4 P54760 1/20 0.53
PTK2 Q05397 1/20 0.53
MAPK14 Q16539 1/20 0.53
KCNK3 O14649 1/20 0.53
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
BACE1 P56817 2/20 0.52

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
SCHEMBL1624920 0.87 BACE1 (0.45) DDR2BACE1
SCHEMBL1624594 0.86 ABL1 (0.52) BRAFBACE1MAPT
SCHEMBL1624443 0.84 PTGES (0.51) KCNK3
SCHEMBL1624271 0.83 MAPT (0.66) KCNQ3KCNQ2CSF1RFGFR1KCNK3
SCHEMBL1625444 0.83 BRAF (0.44) DDR2BRAFBACE1
SCHEMBL1625115 0.83 BACE1 (0.50) BACE1
SCHEMBL1624835 0.83 MEN1 (0.65) PDGFRBKCNK3BACE1ALDH1A1
SCHEMBL1624032 0.83 BACE1 (0.50) BACE1
SCHEMBL1624462 0.83 LMNA (0.56) BRAFLMNABACE1ALDH1A1
SCHEMBL1624938 0.82 BACE1 (0.54) KCNK3LMNAPOLBBACE1

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
US-7928133-B2 Compounds and compositions as hedgehog signaling pathway modulators IRM LLC (BM) 2011-04-19 US claimed
US-20090312308-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG SIGNALING PATHWAY MODULATORS IRM LLC (BM) 2009-12-17 US claimed
EP-2044065-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM, LLC (BM) 2009-04-08 EP claimed
WO-2008014291-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG SIGNALING PATHWAY MODULATORS IRM LLC (BM) 2008-01-31 WO claimed
US-7928133-B2 Compounds and compositions as hedgehog signaling pathway modulators IRM LLC (BM) 2011-04-19 US disclosed
US-7928133-B2 Compounds and compositions as hedgehog signaling pathway modulators IRM LLC (BM) 2011-04-19 US disclosed
US-7928133-B2 Compounds and compositions as hedgehog signaling pathway modulators IRM LLC (BM) 2011-04-19 US disclosed
US-20090312308-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG SIGNALING PATHWAY MODULATORS IRM LLC (BM) 2009-12-17 US disclosed
US-20090312308-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG SIGNALING PATHWAY MODULATORS IRM LLC (BM) 2009-12-17 US disclosed
US-20090312308-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG SIGNALING PATHWAY MODULATORS IRM LLC (BM) 2009-12-17 US disclosed
CN-101501004-A Compounds and compositions as HEDGEHOG pathway modulators IRM LLC (VG) 2009-08-05 CN disclosed
EP-2044065-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM, LLC (BM) 2009-04-08 EP disclosed
WO-2008014291-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG SIGNALING PATHWAY MODULATORS IRM LLC (BM) 2008-01-31 WO disclosed
WO-2008014291-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG SIGNALING PATHWAY MODULATORS IRM LLC (BM) 2008-01-31 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 (1 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-20090312308-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG SIGNALING PATHWAY MODULATORS GLI1, SHH, SMO DDR2 567/4885KCNQ3 3757/4885KCNQ2 3561/4885

“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.