SCHEMBL2280745

SCHEMBL2280745

CC1CN(c2nnc(-c3ccc(F)cc3)c3ccccc23)CCN1C(=O)O

nearest known ligand 0.83

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMO Q99835 17/20 0.83
NPSR1 Q6W5P4 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HTT P42858 1/20 0.49

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
SCHEMBL2274545 0.92 SMO (0.81) SMONPSR1MEN1KMT2AHTT
SCHEMBL2272806 0.89 SMO (0.84) SMO
SCHEMBL2277847 0.87 SMO (0.67) SMONPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL12400961 0.87 SMO (0.72) SMONPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL2271495 0.87 SMO (0.72) SMONPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL2271491 0.87 SMO (0.72) SMONPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL2278120 0.86 SMO (0.66) SMONPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL2276591 0.86 SMO (0.66) SMONPSR1HTT
Hydrochloric Acid SCHEMBL2275064 0.86 SMO (0.71) SMONPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL12400972 0.86 SMO (0.71) SMO

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 5 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
EP-2364185-A1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-09-14 EP 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 1903/4885MEN1 2224/4885

“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.