SCHEMBL14804603

SCHEMBL14804603

CCC1CCN(c2cc(Cl)nc(NC)n2)CC1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.45
▸ RAF1 P04049 1/20 0.41
▸ BRAF P15056 1/20 0.41
▸ HRH4 Q9H3N8 6/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.35
▸ CHRM3 P20309 1/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34

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
SCHEMBL12070336 0.78 CKS1B (0.55) LMNA
SCHEMBL14804579 0.78 CYP1A2 (0.60) RAF1BRAFKMT2AMEN1ALDH1A1
SCHEMBL1320233 0.77 MAP4K1 (0.38) LMNARAF1BRAFMAPT
SCHEMBL14804602 0.75 GALR2 (0.41) HRH4ALDH1A1SMN1; SMN2MAPTCHRM3
SCHEMBL12069783 0.73 GBA1 (0.48) LMNARAF1BRAFMAPT
SCHEMBL18951798 0.73 HRH4 (0.43) LMNAHRH4CYP1A2CYP2D6HRH3
SCHEMBL1317475 0.72 AURKA (0.41) RAF1BRAFKMT2ACYP1A2CYP2D6
SCHEMBL3124312 0.71 CCNC (0.46) LMNAHRH4KMT2AMEN1
SCHEMBL12069781 0.71 MAPT (0.48) LMNARAF1BRAFKMT2AALDH1A1
SCHEMBL14804598 0.70 KDM4E (0.43) LMNAKMT2AMEN1ALDH1A1SMN1; SMN2

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 LMNA 4238/4885RAF1 15/4885BRAF 137/4885

“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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