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SCHEMBL4483887

SCHEMBL4483887

CC(C)(C)OC(=O)N[C@]1(C)CC[C@@H](CN)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 2/20 0.35
▸ APLNR P35414 1/20 0.35
▸ EPHX1 P07099 1/20 0.35
▸ RORC P51449 1/20 0.34
▸ CTSS P25774 2/20 0.34
▸ CTSK P43235 2/20 0.34
▸ HCRTR2 O43614 1/20 0.33
▸ ACACB O00763 1/20 0.33
▸ ACACA Q13085 1/20 0.33
▸ BTK Q06187 1/20 0.33
▸ CTSL P07711 1/20 0.33
▸ PLG P00747 1/20 0.33
▸ PLAT P00750 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL4483882 1.00 KMT2A (0.38) KMT2AMEN1MAPK1ALDH1A1GAA
SCHEMBL25568564 0.86 KMT2A (0.40) KMT2AMEN1MAPK1ALDH1A1GAA
SCHEMBL23223893 0.84 KMT2A (0.38) KMT2AMEN1MAPK1ALDH1A1GAA
SCHEMBL10127311 0.83 MEN1 (0.41) KMT2AMEN1MAPK1GAAAPLNR
SCHEMBL13485258 0.83 MEN1 (0.41) KMT2AMEN1MAPK1GAAAPLNR
SCHEMBL13485263 0.83 MEN1 (0.41) KMT2AMEN1MAPK1GAAAPLNR
Hydrochloric Acid SCHEMBL27241795 0.81 MEN1 (0.40) KMT2AMEN1MAPK1GAAAPLNR
SCHEMBL1730719 0.81 KMT2A (0.42) KMT2AMEN1MAPK1ALDH1A1GAA
SCHEMBL26342483 0.81 MEN1 (0.42) KMT2AMEN1MAPK1GAAAPLNR
SCHEMBL15115795 0.81 KMT2A (0.42) KMT2AMEN1MAPK1ALDH1A1GAA

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
WO-2024019916-A2 CHROMANE AMIDINE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME LLC (US) 2024-01-25 — — WO disclosed
US-7601714-B2 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-10-13 — — US disclosed
US-7601714-B2 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-10-13 — — US disclosed
US-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BARBOSA ANTONIO J M 2008-11-20 — — US disclosed
US-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BARBOSA ANTONIO J M 2008-11-20 — — US disclosed
EP-1765791-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-03-28 — — EP disclosed
WO-2006014482-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-02-09 — — WO disclosed
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-02-02 — — 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 (2 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-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA PRKCZ, PRKCQ, PRKCH KMT2A 2429/4885MEN1 4217/4885MAPK1 662/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH KMT2A 2429/4885MEN1 4217/4885MAPK1 662/4885

“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.