SCHEMBL14804602

SCHEMBL14804602

CNc1nc(Cl)cc(N2CCC[C@@H](C)C2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GALR2 O43603 1/20 0.41
▸ GALR1 P47211 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ PDE4A P27815 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ MAP4K4 O95819 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ HRH4 Q9H3N8 7/20 0.39
▸ MAP2K7 O14733 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ JAK3 P52333 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36

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
SCHEMBL3124312 0.79 CCNC (0.46) HRH4JAK3
SCHEMBL10144220 0.79 GALR2 (0.66) GALR2GALR1SMN1; SMN2MAPTL3MBTL1
SCHEMBL12069784 0.76 TSHR (0.57) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL1317316 0.75 CCNC (0.37) HRH4JAK3
SCHEMBL12119802 0.75 BTK (0.59) MAP4K4JAK3
SCHEMBL14804603 0.75 LMNA (0.45) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL22796061 0.74 MAP4K4 (0.49) MAP4K4RXFP1NPC1RAB9AJAK3
SCHEMBL14804598 0.74 KDM4E (0.43) CHRM3PDE4ASMN1; SMN2JAK3ALDH1A1
SCHEMBL14804579 0.73 CYP1A2 (0.60) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL1318963 0.72 TNNI3K (0.36) PDE4A

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 GALR2 2890/4885GALR1 2749/4885CHRM3 3575/4885

“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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