SCHEMBL1844336

SCHEMBL1844336

CC(C)(C)N(C(=O)O)C1CCN(c2ccc(C#N)cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PANK3 Q9H999 7/20 0.49
▸ GPR119 Q8TDV5 1/20 0.49
▸ DPP4 P27487 2/20 0.48
▸ DPP8 Q6V1X1 1/20 0.48
▸ DPP9 Q86TI2 1/20 0.48
▸ DPP7 Q9UHL4 1/20 0.48
▸ CHRM4 P08173 4/20 0.46
▸ PDK1 Q15118 1/20 0.46
▸ PDK2 Q15119 1/20 0.46
▸ AR P10275 1/20 0.44
▸ JAK2 O60674 2/20 0.44
▸ JAK3 P52333 2/20 0.44
▸ CNR2 P34972 1/20 0.43
▸ JAK1 P23458 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ CHRM5 P08912 1/20 0.43
▸ CHRM1 P11229 1/20 0.43

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
SCHEMBL17687593 0.85 GPR119 (0.52) PANK3GPR119DPP4DPP8DPP9
SCHEMBL17969636 0.84 PANK3 (0.53) PANK3GPR119DPP4DPP8DPP9
SCHEMBL2002031 0.83 HRH3 (0.47) PANK3GPR119
SCHEMBL1998372 0.82 GPR119 (0.46) PANK3GPR119CNR2
SCHEMBL2000005 0.82 HRH3 (0.48) GPR119CHRM4
SCHEMBL11909895 0.82 CHRM4 (0.46) PANK3CHRM4
SCHEMBL2691675 0.82 PANK3 (0.44) PANK3GPR119DPP4DPP8DPP9
SCHEMBL2691677 0.82 PANK3 (0.44) PANK3GPR119DPP4DPP8DPP9
SCHEMBL2691679 0.82 PANK3 (0.44) PANK3GPR119DPP4DPP8DPP9
SCHEMBL1733915 0.81 KDM4E (0.61) GPR119DPP4DPP8DPP9DPP7

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-20110159019-A1 2,4-DIAMINOPYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-30 — — US disclosed
EP-2325175-A1 2,4-DIAMINOPYRIMIDINE COMPOUND Astellas Pharma Inc. (JP) 2011-05-25 — — EP 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-20110159019-A1 2,4-DIAMINOPYRIMIDINE COMPOUND PRKCZ, DCLK1, AAK1 PANK3 401/4885GPR119 2552/4885DPP4 454/4885

“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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