SCHEMBL4252998

SCHEMBL4252998

C=C1OB(c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)OC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
RET P07949 6/20 0.45
GPR119 Q8TDV5 4/20 0.45
USP30 Q70CQ3 1/20 0.45
CKS1B P61024 2/20 0.44
SKP1 P63208 2/20 0.44
SKP2 Q13309 2/20 0.44
MAP4K4 O95819 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
ADK P55263 1/20 0.41
WNT3A P56704 1/20 0.40
HPGD P15428 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 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
SCHEMBL30515664 0.86 USP30 (0.58) DDB1CRBNRETGPR119USP30
SCHEMBL182911 0.86 USP30 (0.58) DDB1CRBNRETGPR119USP30
SCHEMBL14241711 0.85 MAPT (0.53) DDB1CRBNGPR119SMN1; SMN2MAPT
SCHEMBL25175509 0.81 DDB1 (0.48) DDB1CRBNRETGPR119USP30
SCHEMBL30376885 0.81 DDB1 (0.48) DDB1CRBNRETGPR119USP30
SCHEMBL13775467 0.80 MAPT (0.39) SMN1; SMN2MAPTHPGDALDH1A1LMNA
SCHEMBL30746202 0.78 USP30 (0.54) DDB1CRBNRETGPR119USP30
SCHEMBL12466734 0.78 ALDH1A1 (0.43) SMN1; SMN2MAPTMEN1KMT2AHPGD
SCHEMBL9947231 0.77 NAMPT (0.47) DDB1CRBNGPR119USP30MAPT
SCHEMBL31541392 0.76 USP30 (0.54) DDB1CRBNRETUSP30TSHR

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-20120115861-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-05-10 US disclosed
WO-2011006567-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GMBH (DE) 2011-01-20 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-20120115861-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES PDK1, PDK2, PDK4 DDB1 2429/4885CRBN 2764/4885RET 527/4885

“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.