SCHEMBL22026401

SCHEMBL22026401

CC(C)(C)OC(O)NC1CCNCC1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.35
POLB P06746 1/20 0.32
KDM1A O60341 1/20 0.30

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
SCHEMBL18914006 0.89 KCNH2 (0.39) KDM1A
SCHEMBL19891744 0.80 MAPK1 (0.35) KDM1A
SCHEMBL22792822 0.79 EPHX1 (0.39) EPHX1POLB
SCHEMBL18617006 0.78 SMYD3 (0.32) KDM1A
SCHEMBL4623461 0.75 EPHX2 (0.36)
SCHEMBL21973283 0.75 CPN1 (0.32)
SCHEMBL13731105 0.71 EPHX1 (0.43) EPHX1POLBKDM1A
SCHEMBL24332147 0.70
SCHEMBL18874420 0.70 TP53 (0.44) EPHX1KDM1A
SCHEMBL24046271 0.70

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-11136325-B2 Pyrrolopyrimidine and pyrrolopyridine derivatives GALAPAGOS NV (BE) 2021-10-05 US disclosed
US-20200165259-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES GALAPAGOS NV (BE) 2020-05-28 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-20200165259-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES IRAK1, PEAK1, MARK1 EPHX1 469/4885POLB 1702/4885KDM1A 609/4885
US-11136325-B2 Pyrrolopyrimidine and pyrrolopyridine derivatives IRAK1, PEAK1, MARK1 EPHX1 469/4885POLB 1702/4885KDM1A 609/4885

“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.