Sugi Predict

Sugi Predict / Compounds / SCHEMBL12069783

SCHEMBL12069783

SCHEMBL12069783

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 1/20 0.48
▸ LMNA P02545 1/20 0.41
▸ ALK Q9UM73 2/20 0.41
▸ SMO Q99835 2/20 0.41
▸ CKS1B P61024 1/20 0.40
▸ SKP1 P63208 1/20 0.40
▸ SKP2 Q13309 1/20 0.40
▸ RAF1 P04049 1/20 0.40
▸ BRAF P15056 1/20 0.40
▸ NCF1 P14598 1/20 0.40
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39

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
SCHEMBL19687408 0.89 GBA1 (0.46) GBA1LMNAALKSMOCKS1B
SCHEMBL12069781 0.86 MAPT (0.48) LMNAALKSMORAF1BRAF
SCHEMBL14818958 0.84 GBA1 (0.63) GBA1CKS1BSKP1SKP2NCF1
SCHEMBL26604148 0.82 GBA1 (0.52) GBA1LMNASMOCKS1BSKP1
SCHEMBL14804473 0.81 GBA1 (0.46) GBA1CKS1BSKP1SKP2NCF1
SCHEMBL19691058 0.80 GBA1 (0.52) GBA1SMOCKS1BSKP1SKP2
SCHEMBL14818970 0.79 P2RY12 (0.43) LMNAMAPT
SCHEMBL19686805 0.79 IDH1 (0.50) GBA1LMNASMORAF1BRAF
SCHEMBL19690964 0.77 CASP6 (0.51) GBA1ALKNCF1CLK1TP53
SCHEMBL14804592 0.77 NAPEPLD (0.48) HDAC3HDAC1HDAC2HDAC6

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
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-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
US-20130079326-A1 N-PHENYL IMIDAZOLE CARBOXAMIDE INHIBITORS OF 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 MERCK SHARP & DOHME CORP. 2013-03-28 — — US disclosed
WO-2011149874-A2 N-PHENYL IMIDAZOLE CARBOXAMIDE INHIBITORS OF 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 SCHERING CORPORATION (US) 2011-12-01 — — 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-20130079326-A1 N-PHENYL IMIDAZOLE CARBOXAMIDE INHIBITORS OF 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 PDPK1, PDK1, PDK3 GBA1 4030/4885LMNA 4238/4885ALK 452/4885

“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.