SCHEMBL17742966

SCHEMBL17742966

CCCOCCO[C@H]1CC[C@H](NC(=O)c2ccn3c(C)cc(C)nc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CD38 P28907 17/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TYK2 P29597 1/20 0.40

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
SCHEMBL20337497 1.00 CD38 (0.43) CD38ALDH1A1KDM4EPOLBMEN1
SCHEMBL20337422 0.94 CD38 (0.44) CD38ALDH1A1KDM4EPOLBTYK2
SCHEMBL17743131 0.94 CD38 (0.44) CD38ALDH1A1KDM4EPOLBTYK2
SCHEMBL17743227 0.94 ALDH1A1 (0.44) CD38ALDH1A1KDM4EPOLBMEN1
SCHEMBL20337373 0.94 ALDH1A1 (0.44) CD38ALDH1A1KDM4EPOLBMEN1
SCHEMBL20337365 0.94 CD38 (0.49) CD38
SCHEMBL17743027 0.94 CD38 (0.49) CD38
SCHEMBL20337371 0.91 ALDH1A1 (0.43) CD38ALDH1A1KDM4EPOLBMEN1
SCHEMBL17743146 0.91 ALDH1A1 (0.43) CD38ALDH1A1KDM4EPOLBMEN1
SCHEMBL19579146 0.90 ALDH1A1 (0.42) CD38ALDH1A1KDM4EPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11351173-B2 Substituted pyrrolo[1,2-a]pyrimidines and their use in the treatment of medical disorders Bial—R&D Investments, S.A. (PT) 2022-06-07 US disclosed
US-20210177853-A1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL - R&D INVESTMENTS, S.A. (PT) 2021-06-17 US disclosed
US-10751341-B2 Substituted pyrrolo[1,2-a]pyrimidines and their use in the treatment of medical disorders LYSOSOMAL THERAPEUTICS INC. (US) 2020-08-25 US disclosed
EP-3215509-B1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS LYSOSOMAL THERAPEUTICS INC (US) 2020-02-26 EP disclosed
US-20200030331-A1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL - R&D INVESTMENTS, S.A. (PT) 2020-01-30 US disclosed
US-20180185368-A1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS LYSOSOMAL THERAPEUTICS INC. (US) 2018-07-05 US disclosed
US-20180185368-A1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS LYSOSOMAL THERAPEUTICS INC. (US) 2018-07-05 US disclosed
WO-2017192841-A1 METHODS OF TREATMENT AND COMBINATION THERAPIES USING GCASE ACTIVATOR HETEROBICYCLIC AND RELATED COMPOUNDS LYSOSOMAL THERAPEUTICS INC. (US) 2017-11-09 WO disclosed
WO-2016073891-A1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS LYSOSOMAL THERAPEUTICS INC. (US) 2016-05-12 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 (5 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-11351173-B2 Substituted pyrrolo[1,2-a]pyrimidines and their use in the treatment of medical disorders TYMP, PARK7, PNP CD38 564/4885ALDH1A1 1739/4885KDM4E 926/4885
US-20210177853-A1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS TYMP, PARK7, PNP CD38 564/4885ALDH1A1 1739/4885KDM4E 926/4885
US-10751341-B2 Substituted pyrrolo[1,2-a]pyrimidines and their use in the treatment of medical disorders TYMP, PARK7, PNP CD38 564/4885ALDH1A1 1739/4885KDM4E 926/4885
US-20200030331-A1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS TYMP, PARK7, PNP CD38 564/4885ALDH1A1 1739/4885KDM4E 926/4885
US-20180185368-A1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS TYMP, PARK7, PNP CD38 564/4885ALDH1A1 1739/4885KDM4E 926/4885

“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.