SCHEMBL3228084

SCHEMBL3228084

Cc1cn(C(=O)OC(C)(C)C)c2cnccc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
ELANE P08246 2/20 0.40
PIM1 P11309 1/20 0.40
MARK3 P27448 1/20 0.40
MAP4K2 Q12851 1/20 0.40
CAMK2B Q13554 1/20 0.40
PIM3 Q86V86 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
GPR119 Q8TDV5 6/20 0.39
HTR6 P50406 1/20 0.39
BCHE P06276 1/20 0.38
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34

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
SCHEMBL3222887 0.89 L3MBTL1 (0.45) L3MBTL1ELANEPIM1MARK3MAP4K2
SCHEMBL2112349 0.85 PIM1 (0.40) L3MBTL1ELANEPIM1MARK3MAP4K2
SCHEMBL31330259 0.85 PIM1 (0.40) L3MBTL1ELANEPIM1MARK3MAP4K2
SCHEMBL3755156 0.85 PIM1 (0.40) L3MBTL1ELANEPIM1MARK3MAP4K2
SCHEMBL31407790 0.85 PIM1 (0.40) L3MBTL1ELANEPIM1MARK3MAP4K2
SCHEMBL661642 0.84 L3MBTL1 (0.41) L3MBTL1ELANEPIM1MARK3MAP4K2
SCHEMBL29951804 0.84 L3MBTL1 (0.41) L3MBTL1ELANEPIM1MARK3MAP4K2
SCHEMBL30940053 0.83 MEN1 (0.41) L3MBTL1ELANEPIM1MARK3MAP4K2
SCHEMBL13079977 0.83 MEN1 (0.41) L3MBTL1ELANEPIM1MARK3MAP4K2
SCHEMBL13079979 0.83 L3MBTL1 (0.51) L3MBTL1ELANEPIM1MARK3MAP4K2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 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
US-20080146814-A1 Process for producing N-protected boryl compounds BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2008-06-19 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 (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-20080146814-A1 Process for producing N-protected boryl compounds PBK, NME2, ZC3HAV1 L3MBTL1 1115/4885ELANE 2397/4885PIM1 1231/4885
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 L3MBTL1 1271/4885ELANE 2842/4885PIM1 2034/4885
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS HRH2, HRH1, HRH4 L3MBTL1 3418/4885ELANE 2436/4885PIM1 3075/4885

“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.