SCHEMBL14818927

SCHEMBL14818927

CNc1nc(C)cc(N2CCN(C(=O)OC)CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 9/20 0.47
▸ EPHX2 P34913 1/20 0.44
▸ SMO Q99835 2/20 0.43
▸ MAPT P10636 3/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ POLB P06746 1/20 0.41
▸ SLC2A1 P11166 1/20 0.41

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
SCHEMBL14818958 0.86 GBA1 (0.63) GBA1EPHX2ALDH1A1KMT2AMEN1
SCHEMBL12069781 0.85 MAPT (0.48) SMOMAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL14804471 0.83 MAPT (0.40) GBA1SMOMAPTSMN1; SMN2ALDH1A1
SCHEMBL24654627 0.76 ALDH1A1 (0.61) GBA1EPHX2MAPTSMN1; SMN2ALDH1A1
SCHEMBL12500191 0.74 EPHX2 (0.50) EPHX2MAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL14818929 0.74 KMT2A (0.64) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL14818930 0.73 EPHX2 (0.42) GBA1EPHX2SMN1; SMN2ALDH1A1KMT2A
SCHEMBL18153409 0.72 GALR2 (0.54) GBA1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL12069783 0.71 GBA1 (0.48) GBA1SMOMAPT
SCHEMBL14818970 0.70 P2RY12 (0.43) MAPTSMN1; SMN2KMT2AMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8623857-B2 N-phenyl imidazole carboxamide inhibitors of 3-phosphoinositide-dependent protein kinase-1 MERCK SHARP & DOHME CORP. (US) 2014-01-07 — — US disclosed
US-20130079326-A1 N-PHENYL IMIDAZOLE CARBOXAMIDE INHIBITORS OF 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 MERCK SHARP & DOHME CORP. 2013-03-28 — — 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-20130079326-A1 N-PHENYL IMIDAZOLE CARBOXAMIDE INHIBITORS OF 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 PDPK1, PDK1, PDK3 GBA1 4030/4885EPHX2 4687/4885SMO 1724/4885

“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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