SCHEMBL21483518

SCHEMBL21483518

CCCOC1CCC(NC(=O)c2ccn3c(C)cc(C4CCNCC4)nc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CD38 P28907 18/20 0.41
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
TYK2 P29597 1/20 0.37

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
SCHEMBL20337373 0.85 ALDH1A1 (0.44) CD38MEN1ALDH1A1KMT2ATYK2
SCHEMBL17743227 0.85 ALDH1A1 (0.44) CD38MEN1ALDH1A1KMT2ATYK2
SCHEMBL19451990 0.85 CD38 (0.40) CD38MEN1ALDH1A1KMT2ATYK2
SCHEMBL21460989 0.85 CD38 (0.40) CD38MEN1ALDH1A1KMT2ATYK2
SCHEMBL17743278 0.84 CD38 (0.42) CD38MEN1ALDH1A1KMT2ATYK2
SCHEMBL20337375 0.84 CD38 (0.42) CD38MEN1ALDH1A1KMT2ATYK2
SCHEMBL21460959 0.81 CD38 (0.41) CD38MEN1ALDH1A1KMT2ATYK2
SCHEMBL19452089 0.81 CD38 (0.41) CD38MEN1ALDH1A1KMT2ATYK2
SCHEMBL20337497 0.80 CD38 (0.43) CD38MEN1ALDH1A1KMT2ATYK2
SCHEMBL17742966 0.80 CD38 (0.43) CD38MEN1ALDH1A1KMT2ATYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190315751-A1 PYRROLO[1,2-A]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL - R&D INVESTMENTS, S.A. (PT) 2019-10-17 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 (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-20190315751-A1 PYRROLO[1,2-A]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS PARK7, GAA, SNCA CD38 395/4885MEN1 1916/4885ALDH1A1 1514/4885

“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.