SCHEMBL15034390

SCHEMBL15034390

Cc1ccc(N2CC3CCC(C2)N3C(=O)OC(C)(C)C)cn1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 10/20 0.49
▸ HSD11B1 P28845 1/20 0.49
▸ HDAC1 Q13547 1/20 0.48
▸ JAK1 P23458 3/20 0.47
▸ CHRM2 P08172 1/20 0.45
▸ CHRM1 P11229 1/20 0.45
▸ CHRM3 P20309 1/20 0.45
▸ JAK2 O60674 1/20 0.43
▸ TYK2 P29597 1/20 0.43
▸ JAK3 P52333 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ DGAT1 O75907 1/20 0.42
▸ RET P07949 1/20 0.41
▸ PREP P48147 1/20 0.40

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
SCHEMBL29736294 0.87 HDAC1 (0.52) GPR119HSD11B1HDAC1JAK1CHRM2
SCHEMBL2305956 0.87 HDAC1 (0.52) GPR119HSD11B1HDAC1JAK1CHRM2
SCHEMBL15034395 0.85 HSD11B1 (0.45) GPR119HSD11B1HDAC1JAK1CHRM2
SCHEMBL25738114 0.84 GPR119 (0.48) GPR119HSD11B1HDAC1JAK1CHRM2
SCHEMBL20469236 0.83 GPR119 (0.59) GPR119HSD11B1HDAC1JAK1CHRM2
SCHEMBL25738115 0.83 HDAC1 (0.48) GPR119HSD11B1HDAC1JAK1CHRM2
SCHEMBL2302595 0.83 MAPT (0.54) GPR119HSD11B1HDAC1JAK1MAPT
SCHEMBL31106300 0.83 MAPT (0.54) GPR119HSD11B1HDAC1JAK1MAPT
SCHEMBL25188860 0.82 HDAC1 (0.48) GPR119HSD11B1HDAC1JAK1CHRM2
SCHEMBL31173950 0.82 HDAC1 (0.48) GPR119HSD11B1HDAC1JAK1CHRM2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130150342-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 NOVARTIS AG (CH) 2013-06-13 — — 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-20130150342-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 CDK4, CDK6, CCNT1 GPR119 2573/4885HSD11B1 2556/4885HDAC1 521/4885

“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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