SCHEMBL3229288

SCHEMBL3229288

CC(C)(C)OC(=O)Nc1cnccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.47
CYP17A1 P05093 4/20 0.46
ATR Q13535 1/20 0.46
RAB9A P51151 1/20 0.43
AAK1 Q2M2I8 1/20 0.42
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
METAP1 P53582 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
LCK P06239 1/20 0.40
CHUK O15111 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
SCHEMBL31707395 0.88 NOD2 (0.50) NAMPTCYP17A1ATRRAB9AAAK1
SCHEMBL536056 0.88 NOD2 (0.50) NAMPTCYP17A1ATRRAB9AAAK1
SCHEMBL18522430 0.86 NAMPT (0.50) NAMPTCYP17A1ATRRAB9AMETAP1
SCHEMBL555073 0.83 NAMPT (0.48) NAMPTCYP17A1ATRRAB9AMETAP1
SCHEMBL12097995 0.83 GSK3A (0.48) NAMPTCYP17A1ATRRAB9AGSK3A
SCHEMBL30114700 0.82 NAMPT (0.47) NAMPTCYP17A1ATRRAB9AMETAP1
SCHEMBL30759207 0.82 NAMPT (0.47) NAMPTCYP17A1ATRRAB9AMETAP1
SCHEMBL28390904 0.82 NAMPT (0.47) NAMPTCYP17A1ATRRAB9AAAK1
SCHEMBL743727 0.82 NAMPT (0.47) NAMPTCYP17A1ATRRAB9AMETAP1
SCHEMBL13748300 0.82 NAMPT (0.47) NAMPTCYP17A1ATRRAB9AMETAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3292124-B1 6H-ISOCHROMENO[3,4-C]PYRIDINES AND BENZO[C][1,7]NAPHTHYRIDIN-6-(5H)-ONES AS ADAPTOR ASSOCIATED KINASE 1 (AAK1) INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-05-22 EP disclosed
US-10174044-B2 Fused pyridines as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-08 US disclosed
US-20180141956-A1 FUSED PYRIDINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-24 US disclosed
EP-2142516-B1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI SA (FR) 2012-12-26 EP disclosed
US-8258130-B2 Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI (FR) 2012-09-04 US disclosed
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 US disclosed
EP-2142516-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS Sanofi-Aventis (FR) 2010-01-13 EP disclosed
WO-2008121670-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2008-10-09 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 (3 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-10174044-B2 Fused pyridines as kinase inhibitors AAK1, NCK1, ADCK1 NAMPT 2693/4885CYP17A1 4427/4885ATR 460/4885
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS HRH2, HRH1, HRH4 NAMPT 358/4885CYP17A1 1188/4885ATR 3586/4885
US-20180141956-A1 FUSED PYRIDINES AS KINASE INHIBITORS AAK1, NCK1, ADCK1 NAMPT 2693/4885CYP17A1 4427/4885ATR 460/4885

“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.