SCHEMBL1268279

SCHEMBL1268279

COc1cc(OC)cc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)c1

nearest known ligand 0.85

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.85
▸ MEN1 O00255 3/20 0.68
▸ KMT2A Q03164 3/20 0.68
▸ HTT P42858 2/20 0.68
▸ KDM4E B2RXH2 1/20 0.64
▸ ALDH1A1 P00352 1/20 0.64
▸ LMNA P02545 2/20 0.62
▸ RAB9A P51151 1/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ TP53 P04637 2/20 0.62
▸ RXFP1 Q9HBX9 1/20 0.62

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
SCHEMBL13679601 0.92 MAPT (0.82) MAPTMEN1KMT2AHTTKDM4E
SCHEMBL13679575 0.90 MAPT (0.73) MAPTMEN1KMT2AHTTKDM4E
SCHEMBL5822958 0.89 MAPT (0.72) MAPTMEN1KMT2AHTTKDM4E
SCHEMBL13679552 0.89 MAPT (0.69) MAPTMEN1KMT2AHTTKDM4E
SCHEMBL14642440 0.89 MAPT (0.71) MAPTMEN1KMT2AHTTLMNA
SCHEMBL13679715 0.89 MAPT (0.69) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL14615282 0.88 MAPT (0.68) MAPTMEN1KMT2AHTTKDM4E
SCHEMBL12831265 0.88 MAPT (0.73) MAPTMEN1KMT2AHTTKDM4E
SCHEMBL13679580 0.87 MAPT (0.67) MAPTMEN1KMT2AHTTKDM4E
SCHEMBL15424127 0.87 MAPT (0.68) MAPTMEN1KMT2AHTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9000023-B2 Disubstituted phthalazine hedgehog pathway antagonists ELI LILLY AND COMPANY (US) 2015-04-07 — — US disclosed
US-8835648-B2 Hedgehog pathway antagonists and therapeutic applications thereof SIENA BIOTECH S.P.A. (IT) 2014-09-16 — — US disclosed
US-8772275-B2 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2014-07-08 — — US disclosed
EP-2358703-B1 TETRASUBSTITUTED PYRIDAZINES HEDGEHOG PATHWAY ANTAGONISTS LILLY CO ELI (US) 2013-12-25 — — EP disclosed
US-8592463-B2 Hedgehog pathway antagonists and therapeutic applications thereof SIENA BIOTECH S.P.A. (IT) 2013-11-26 — — US disclosed
EP-2440544-B1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH SPA (IT) 2013-08-14 — — EP disclosed
US-8507490-B2 Tetrasubstituted pyridazine hedgehog pathway antagonists ELI LILLY AND COMPANY (US) 2013-08-13 — — US disclosed
EP-2364185-B1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS LILLY CO ELI (US) 2013-05-22 — — EP disclosed
US-8445493-B2 Tetrasubstituted pyridazines hedgehog pathway antagonists ELI LILLY AND COMPANY (US) 2013-05-21 — — US disclosed
EP-2443104-B1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS LILLY CO ELI (US) 2013-04-17 — — EP 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
WO-2010142426-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2010-12-16 — — WO disclosed
US-20100286114-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2010-11-11 — — US disclosed
EP-2227456-A2 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF Siena Biotech S.p.A. (IT) 2010-09-15 — — EP disclosed
WO-2010062507-A1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS ELI LILLY AND COMPANY (US) 2010-06-03 — — WO disclosed
WO-2010056588-A1 TETRASUBSTITUTED PYRIDAZINE HEDGEHOG PATHWAY ANTAGONISTS ELI LILLY AND COMPANY (US) 2010-05-20 — — WO disclosed
WO-2010056620-A1 TETRASUBSTITUTED PYRIDAZINES HEDGEHOG PATHWAY ANTAGONISTS ELI LILLY AND COMPANY (US) 2010-05-20 — — WO disclosed
WO-2009134574-A2 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS ELI LILLY AND COMPANY (US) 2009-11-05 — — WO disclosed
WO-2009074300-A2 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2009-06-18 — — 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-20100324048-A1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS SHH, GLI1, SMO MAPT 3122/4885MEN1 2224/4885KMT2A 590/4885
US-20100286114-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SHH, GLI1, SMO MAPT 3104/4885MEN1 3442/4885KMT2A 3040/4885

“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.

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