SCHEMBL15044972

SCHEMBL15044972

CC(C)c1ncc(-c2cn[nH]c2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 4/20 0.45
▸ AKT2 P31751 3/20 0.45
▸ MAPK8 P45983 1/20 0.44
▸ CHEK1 O14757 2/20 0.42
▸ CHEK2 O96017 2/20 0.42
▸ ABL1 P00519 1/20 0.42
▸ KDM5B Q9UGL1 1/20 0.38
▸ PIM1 P11309 2/20 0.38
▸ PIM3 Q86V86 2/20 0.38
▸ PIM2 Q9P1W9 2/20 0.38
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ ERN1 O75460 1/20 0.36
▸ PRKD3 O94806 1/20 0.36
▸ PRKCG P05129 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
SCHEMBL12203913 0.77 AKT2 (0.50) AKT1AKT2MAPK8CHEK1CHEK2
SCHEMBL21341311 0.76 AKT2 (0.46) AKT1AKT2MAPK8CHEK1CHEK2
SCHEMBL3740850 0.75 AKT2 (0.70) AKT1AKT2MAPK8CHEK1CHEK2
SCHEMBL12204174 0.72 AKT2 (0.50) AKT1AKT2MAPK8CHEK1CHEK2
SCHEMBL26953475 0.72 AKT2 (0.50) AKT1AKT2MAPK8CHEK1CHEK2
SCHEMBL12204196 0.72 AKT2 (0.50) AKT1AKT2CHEK1CHEK2ABL1
Hydrochloric Acid SCHEMBL28973063 0.72 AKT2 (0.67) AKT1AKT2MAPK8CHEK1CHEK2
SCHEMBL26950615 0.72 AKT1 (0.45) AKT1AKT2MAPK8CHEK1CHEK2
SCHEMBL12545786 0.72 AKT1 (0.62) AKT1AKT2PRKD3PRKCGPRKCB
SCHEMBL19914003 0.72 MAPK8 (0.41) AKT1AKT2MAPK8KDM5BPIM1

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-8754226-B2 Piperidinyl-substituted lactams as GPR119 modulators ARRAY BIOPHARMA INC. (US) 2014-06-17 — — US disclosed
US-20130158009-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS ARRAY BIOPHARMA, INC. 2013-06-20 — — 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-20130158009-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS GPR119, GPR139, GPR39 AKT1 860/4885AKT2 675/4885MAPK8 4353/4885

“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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