SCHEMBL3779464

SCHEMBL3779464

CC(C)(C)OC(=O)NC1CCN(c2nnc(Cl)c3ccccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.53
SKP1 P63208 1/20 0.53
SKP2 Q13309 1/20 0.53
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
OGFRL1 Q5TC84 1/20 0.49
USP14 P54578 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
GFER P55789 1/20 0.47
DRD2 P14416 5/20 0.46
KCNA3 P22001 1/20 0.46
DRD3 P35462 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
PDE10A Q9Y233 1/20 0.44
KDM1A O60341 1/20 0.44
MAOB P27338 1/20 0.44

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
SCHEMBL17698968 0.87 CKS1B (0.53) CKS1BSKP1SKP2CNR1CNR2
SCHEMBL24000748 0.84 CKS1B (0.55) CKS1BSKP1SKP2DRD2PKM
SCHEMBL2125396 0.82 MEN1 (0.55) KMT2AMEN1GFERPKMTSHR
SCHEMBL16269253 0.81 HTR1A (0.44) CNR1CNR2KMT2AMEN1GFER
SCHEMBL2129675 0.80 SMO (0.53) CKS1BSKP1SKP2OPRM1OPRD1
SCHEMBL27809326 0.80 CKS1B (0.53) CKS1BSKP1SKP2OPRM1OPRD1
SCHEMBL1268223 0.79 MEN1 (0.46) KMT2AMEN1GFERPDE10APKM
SCHEMBL2794592 0.79 LMNA (0.55) CKS1BSKP1SKP2CNR1CNR2
SCHEMBL30945062 0.79 LMNA (0.55) CKS1BSKP1SKP2CNR1CNR2
SCHEMBL14428272 0.79 PDE10A (0.49) CKS1BSKP1SKP2OPRM1OPRD1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9579319-B2 Heterocyclic compounds as hedgehog signaling pathway inhibitors REDX PHARMA PLC (GB) 2017-02-28 US disclosed
US-9579319-B2 Heterocyclic compounds as hedgehog signaling pathway inhibitors REDX PHARMA PLC (GB) 2017-02-28 US disclosed
US-9579319-B2 Heterocyclic compounds as hedgehog signaling pathway inhibitors REDX PHARMA PLC (GB) 2017-02-28 US disclosed
US-20160113928-A1 HETEROCYCLIC COMPOUNDS AS HEDGEHOG SIGNALING PATHWAY INHIBITORS REDX PHARMA PLC (GB) 2016-04-28 US disclosed
US-20160113928-A1 HETEROCYCLIC COMPOUNDS AS HEDGEHOG SIGNALING PATHWAY INHIBITORS REDX PHARMA PLC (GB) 2016-04-28 US disclosed
US-20160113928-A1 HETEROCYCLIC COMPOUNDS AS HEDGEHOG SIGNALING PATHWAY INHIBITORS REDX PHARMA PLC (GB) 2016-04-28 US disclosed
US-9000023-B2 Disubstituted phthalazine hedgehog pathway antagonists ELI LILLY AND COMPANY (US) 2015-04-07 US disclosed
US-9000023-B2 Disubstituted phthalazine hedgehog pathway antagonists ELI LILLY AND COMPANY (US) 2015-04-07 US disclosed
US-9000023-B2 Disubstituted phthalazine hedgehog pathway antagonists ELI LILLY AND COMPANY (US) 2015-04-07 US disclosed
WO-2014191736-A1 HETEROCYCLIC COMPOUNDS AS HEDGEHOG SIGNALING PATHWAY INHIBITORS REDX PHARMA LIMITED (GB) 2014-12-04 WO disclosed
US-20120316174-A1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS ELI LILLY AND COMPANY (US) 2012-12-13 US disclosed
US-20120316174-A1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS ELI LILLY AND COMPANY (US) 2012-12-13 US disclosed
US-20120316174-A1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS ELI LILLY AND COMPANY (US) 2012-12-13 US disclosed
US-8273742-B2 Disubstituted phthalazine hedgehog pathway antagonists ELI LILLY AND COMPANY (US) 2012-09-25 US disclosed
US-8273742-B2 Disubstituted phthalazine hedgehog pathway antagonists ELI LILLY AND COMPANY (US) 2012-09-25 US disclosed
US-8273742-B2 Disubstituted phthalazine hedgehog pathway antagonists ELI LILLY AND COMPANY (US) 2012-09-25 US disclosed
US-20100324048-A1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS ELI LILLY AND COMPANY (US) 2010-12-23 US disclosed
US-20100324048-A1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS ELI LILLY AND COMPANY (US) 2010-12-23 US disclosed
US-20100324048-A1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS ELI LILLY AND COMPANY (US) 2010-12-23 US disclosed
WO-2010147917-A1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS ELI LILLY AND COMPANY (US) 2010-12-23 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 (3 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-20100324048-A1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS SHH, GLI1, SMO CKS1B 745/4885SKP1 1203/4885SKP2 87/4885
US-20160113928-A1 HETEROCYCLIC COMPOUNDS AS HEDGEHOG SIGNALING PATHWAY INHIBITORS SMO, SHH, GLI1 CKS1B 768/4885SKP1 471/4885SKP2 98/4885
US-20120316174-A1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS SHH, GLI1, SMO CKS1B 745/4885SKP1 1203/4885SKP2 87/4885

“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.