SCHEMBL12371792

SCHEMBL12371792

COc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)c3ccccc23)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMO Q99835 12/20 0.59
NPSR1 Q6W5P4 5/20 0.56
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
PKM P14618 1/20 0.53
MAPK1 P28482 2/20 0.51
KDR P35968 2/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 1/20 0.46
ADRB2 P07550 1/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL4166778 0.91 SMO (0.70) SMONPSR1KMT2AMEN1HTT
SCHEMBL3638823 0.91 SMO (0.70) SMONPSR1KMT2AMEN1HTT
SCHEMBL1102303 0.91 SMO (0.70) SMONPSR1KMT2AMEN1HTT
SCHEMBL12371761 0.90 SMO (0.71) SMONPSR1KMT2AMEN1SMN1; SMN2
SCHEMBL2276481 0.90 SMO (0.71) SMONPSR1KMT2AMEN1SMN1; SMN2
SCHEMBL2276477 0.90 SMO (0.71) SMONPSR1KMT2AMEN1SMN1; SMN2
SCHEMBL12371790 0.88 SMO (0.74) SMOKMT2AMEN1POLBADRB2
SCHEMBL2277847 0.87 SMO (0.67) SMONPSR1KMT2AMEN1SMN1; SMN2
SCHEMBL12371787 0.87 SMO (0.57) SMONPSR1KMT2AMEN1SMN1; SMN2
SCHEMBL27820651 0.81 NPSR1 (0.56) SMONPSR1KMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364185-B1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS LILLY CO ELI (US) 2013-05-22 EP disclosed
US-8404687-B2 Disubstituted phthalazine hedgehog pathway antagonists ELI LILLY AND COMPANY (US) 2013-03-26 US disclosed
US-8404687-B2 Disubstituted phthalazine hedgehog pathway antagonists ELI LILLY AND COMPANY (US) 2013-03-26 US disclosed
US-20110190304-A1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-08-04 US disclosed
US-20110190304-A1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-08-04 US disclosed
WO-2010062507-A1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS ELI LILLY AND COMPANY (US) 2010-06-03 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-20110190304-A1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS SHH, GLI1, SMO SMO 3/4885NPSR1 1903/4885KMT2A 590/4885

“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.