SCHEMBL401260

SCHEMBL401260

CN1CCN(Cc2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4ccccc4)c3)cn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAICS P22234 1/20 0.56
MAPK7 Q13164 1/20 0.55
EGFR P00533 5/20 0.51
BRAF P15056 4/20 0.51
CSF1R P07333 2/20 0.50
KIT P10721 2/20 0.50
BTK Q06187 1/20 0.50
MAPT P10636 1/20 0.50
CHRM1 P11229 1/20 0.50
WNT3A P56704 1/20 0.49
HDAC1 Q13547 1/20 0.48
HIF1A Q16665 1/20 0.48
EPAS1 Q99814 1/20 0.48
PIR O00625 1/20 0.48
SMO Q99835 1/20 0.48
MCHR1 Q99705 1/20 0.48
TSHR P16473 1/20 0.47
ABL1 P00519 2/20 0.47
PLK4 O00444 1/20 0.47
DDX3X O00571 1/20 0.47

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
SCHEMBL403622 0.92 SMO (0.58) PAICSMAPK7EGFRBRAFCSF1R
SCHEMBL4968510 0.92 MAPK7 (0.52) PAICSMAPK7EGFRBRAFCSF1R
SCHEMBL404278 0.91 MAPT (0.52) MAPTCHRM1HIF1AEPAS1SMO
SCHEMBL402922 0.89 HIF1A (0.63) MAPTWNT3AHDAC1HIF1AEPAS1
SCHEMBL10238311 0.87 BTK (0.65) EGFRBRAFCSF1RKITBTK
SCHEMBL4973693 0.86 MAPK7 (0.50) PAICSMAPK7EGFRBRAFCSF1R
SCHEMBL1018575 0.85 MAPK7 (0.51) MAPK7EGFRCSF1RKITSMO
SCHEMBL398956 0.85 SMO (0.58) CSF1RKITMAPTCHRM1HDAC1
SCHEMBL403259 0.83 SMO (0.57) PAICSCSF1RKITMAPTHIF1A
SCHEMBL10238488 0.83 MAPT (0.59) MAPTCHRM1HDAC1SMOTSHR

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957461-B1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING GENENTECH INC (US) 2016-11-02 EP claimed
US-8101610-B2 Blocking signals; anticancer agents GENENTECH, INC. (US) 2012-01-24 US claimed
US-20080269215-A1 Bisamide Inhibitors of Hedgehog Signaling GENENTECH INC. (US) 2008-10-30 US claimed
EP-1957461-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING Genentech, Inc. (US) 2008-08-20 EP claimed
WO-2007059157-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING GENENTECH, INC. (US) 2007-05-24 WO claimed
EP-1957461-B1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING GENENTECH INC (US) 2016-11-02 EP disclosed
US-8101610-B2 Blocking signals; anticancer agents GENENTECH, INC. (US) 2012-01-24 US disclosed
US-8101610-B2 Blocking signals; anticancer agents GENENTECH, INC. (US) 2012-01-24 US disclosed
US-8101610-B2 Blocking signals; anticancer agents GENENTECH, INC. (US) 2012-01-24 US disclosed
US-20080269215-A1 Bisamide Inhibitors of Hedgehog Signaling GENENTECH INC. (US) 2008-10-30 US disclosed
US-20080269215-A1 Bisamide Inhibitors of Hedgehog Signaling GENENTECH INC. (US) 2008-10-30 US disclosed
US-20080269215-A1 Bisamide Inhibitors of Hedgehog Signaling GENENTECH INC. (US) 2008-10-30 US disclosed
EP-1957461-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING Genentech, Inc. (US) 2008-08-20 EP disclosed
WO-2007059157-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING GENENTECH, INC. (US) 2007-05-24 WO disclosed
WO-2007059157-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING GENENTECH, INC. (US) 2007-05-24 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-20080269215-A1 Bisamide Inhibitors of Hedgehog Signaling SHH, GLI1, SMO PAICS 2287/4885MAPK7 1132/4885EGFR 20/4885

“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.