SCHEMBL2279131

SCHEMBL2279131

CC1CN(c2nnc(-c3ccc(C#N)cc3)c3ccccc23)CCN1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMO Q99835 5/20 0.56
NPSR1 Q6W5P4 6/20 0.49
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
HTT P42858 4/20 0.49
MAPK1 P28482 3/20 0.49
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
ALDH1A1 P00352 4/20 0.48
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDR P35968 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL2279125 1.00 SMO (0.56) SMONPSR1KMT2AMEN1HTT
SCHEMBL1089608 0.88 NPSR1 (0.63) SMONPSR1KMT2AMEN1HTT
SCHEMBL1089606 0.88 NPSR1 (0.63) SMONPSR1KMT2AMEN1HTT
SCHEMBL2275050 0.86 SMO (0.58) SMONPSR1KMT2AMEN1HTT
SCHEMBL2275061 0.86 SMO (0.58) SMONPSR1KMT2AMEN1HTT
SCHEMBL2278195 0.86 SMO (0.58) SMONPSR1KMT2AMEN1HTT
SCHEMBL12435066 0.85 SMO (0.40) SMO
SCHEMBL2277207 0.84 NPSR1 (0.67) SMONPSR1KMT2AMEN1HTT
SCHEMBL2277202 0.84 NPSR1 (0.67) SMONPSR1KMT2AMEN1HTT
SCHEMBL2276732 0.83 SMO (0.60) SMONPSR1KMT2AMEN1HTT

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 3 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-20110190304-A1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-08-04 US 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.