SCHEMBL19451990

SCHEMBL19451990

CCCCO[C@H]1CC[C@H](NC(=O)c2ccn3c(C)cc(C4CCOCC4)nc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CD38 P28907 12/20 0.40
TYK2 P29597 1/20 0.37
MAPK13 O15264 2/20 0.37
AXL P30530 1/20 0.37
FLT3 P36888 1/20 0.37
TYRO3 Q06418 1/20 0.37
MERTK Q12866 1/20 0.37
GAS6 Q14393 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
CNR2 P34972 2/20 0.36

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
SCHEMBL21460989 1.00 CD38 (0.40) CD38TYK2MAPK13AXLFLT3
SCHEMBL19452088 0.86 PIK3CA (0.42) CD38FLT3TYRO3MERTKGAS6
SCHEMBL19452093 0.86 PIK3CA (0.42) CD38FLT3TYRO3MERTKGAS6
SCHEMBL17743146 0.86 ALDH1A1 (0.43) CD38TYK2MEN1ALDH1A1KMT2A
SCHEMBL20337371 0.86 ALDH1A1 (0.43) CD38TYK2MEN1ALDH1A1KMT2A
SCHEMBL21483518 0.85 CD38 (0.41) CD38TYK2MEN1ALDH1A1KMT2A
SCHEMBL20337493 0.84 CD38 (0.41) CD38TYK2MEN1ALDH1A1KMT2A
SCHEMBL19579153 0.84 CD38 (0.41) CD38TYK2MEN1ALDH1A1KMT2A
SCHEMBL17743174 0.84 CD38 (0.41) CD38TYK2MEN1ALDH1A1KMT2A
SCHEMBL20348421 0.84 CD38 (0.41) CD38TYK2MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11124516-B2 Pyrrolo[1,2-A]pyrimidinyl carboxamide compounds and their use in the treatment of medical disorders BIAL-BioTech Investments, Inc. (PT) 2021-09-21 US disclosed
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
WO-2017176962-A1 PYRROLO[1,2-A]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS LYSOSOMAL THERAPEUTICS, INC. (US) 2017-10-12 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 (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-20190315751-A1 PYRROLO[1,2-A]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS PARK7, GAA, SNCA CD38 395/4885TYK2 2180/4885MAPK13 3906/4885
US-11124516-B2 Pyrrolo[1,2-A]pyrimidinyl carboxamide compounds and their use in the treatment of medical disorders PARK7, GAA, SNCA CD38 395/4885TYK2 2180/4885MAPK13 3906/4885

“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.