SCHEMBL2276591

SCHEMBL2276591

CC1CN(c2nnc(-c3ccc(C#N)cc3)c3ccccc23)CCN1C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMO Q99835 18/20 0.66
KDR P35968 1/20 0.54
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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 0.89 SMO (0.81) SMOKDRHTTNPSR1
SCHEMBL12399336 0.88 KDR (0.59) SMOKDR
Hydrochloric Acid SCHEMBL2279101 0.87 KDR (0.58) SMOKDR
SCHEMBL12371787 0.87 SMO (0.57) SMOKDRNPSR1
Hydrochloric Acid SCHEMBL2279104 0.87 KDR (0.58) SMOKDR
SCHEMBL12398019 0.87 KDR (0.63) SMOKDR
SCHEMBL2216605 0.87 SMO (0.50) SMO
SCHEMBL2280745 0.86 SMO (0.83) SMOHTTNPSR1
Hydrochloric Acid SCHEMBL2276533 0.86 KDR (0.62) SMOKDR
Hydrochloric Acid SCHEMBL2276541 0.86 KDR (0.62) SMOKDR

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 3/4885KDR 1085/4885HTT 1781/4885

“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.