SCHEMBL17729338

SCHEMBL17729338

CC1(N)CCOc2cccc(F)c21

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.36
APP P05067 1/20 0.36
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
ITGAL P20701 1/20 0.34
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
LMNA P02545 2/20 0.31
CRHBP P24387 2/20 0.31
CRHR2 Q13324 2/20 0.31
HTT P42858 1/20 0.31
AKR1B1 P15121 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
MAP3K14 Q99558 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
SCHEMBL17729327 0.81 BACE1 (0.38) BACE1APPAKR1B1
SCHEMBL30403900 0.79 MAP3K14 (0.35) BACE1APPITGB2ICAM1ITGAL
SCHEMBL17730276 0.77 PSEN1 (0.34) APP
SCHEMBL17729313 0.75 BACE1 (0.33) BACE1APP
SCHEMBL17729317 0.73 ITGB2 (0.43) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL30403496 0.72 MAP3K14 (0.35) BACE1APPITGB2ICAM1ITGAL
SCHEMBL8237395 0.70 PSEN1 (0.45) APP
SCHEMBL17729340 0.70 AKR1B1 (0.35) BACE1APPMAPTAKR1B1MAP3K14
SCHEMBL17729307 0.68 AKR1B1 (0.55) BACE1APPMAPTAKR1B1
SCHEMBL7940856 0.66 BACE1 (0.40) BACE1APP

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
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
EP-3215509-A1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS Lysosomal Therapeutics Inc. (US) 2017-09-13 EP 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 BACE1 144/4885APP 132/4885ITGB2 4815/4885
US-20210177853-A1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS TYMP, PARK7, PNP BACE1 144/4885APP 132/4885ITGB2 4815/4885
US-10751341-B2 Substituted pyrrolo[1,2-a]pyrimidines and their use in the treatment of medical disorders TYMP, PARK7, PNP BACE1 144/4885APP 132/4885ITGB2 4815/4885
US-20200030331-A1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS TYMP, PARK7, PNP BACE1 144/4885APP 132/4885ITGB2 4815/4885
US-20180185368-A1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS TYMP, PARK7, PNP BACE1 144/4885APP 132/4885ITGB2 4815/4885

“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.