SCHEMBL4291334

SCHEMBL4291334

CC(=O)C(=CN(C)C)c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 3/20 0.42
PTGS2 P35354 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
AKR1C3 P42330 1/20 0.42
TNFRSF1A P19438 1/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
HTR7 P34969 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL4291331 1.00 CYP1A2 (0.51) CYP1A2CYP2C19CES2CES1ALDH1A1
SCHEMBL23832290 0.85 CYP1A2 (0.51) CYP1A2CYP2C19CES2CES1ALDH1A1
SCHEMBL21769292 0.84 CYP1A2 (0.47) CYP1A2CYP2C19CES2CES1ALDH1A1
SCHEMBL7835908 0.81 RECQL (0.48) CES2CES1ALDH1A1HTTRAB9A
SCHEMBL22440125 0.81 RECQL (0.48) CES2CES1ALDH1A1HTTRAB9A
SCHEMBL7835911 0.81 RECQL (0.48) CES2CES1ALDH1A1HTTRAB9A
SCHEMBL17927021 0.81 CYP11B1 (0.51) CYP1A2CES2CES1ALDH1A1PTGS2
SCHEMBL17927020 0.81 CYP11B1 (0.51) CYP1A2CES2CES1ALDH1A1PTGS2
SCHEMBL1339253 0.81 CYP1A2 (0.47) CYP1A2CYP2C19CES2CES1ALDH1A1
SCHEMBL1339256 0.81 CYP1A2 (0.47) CYP1A2CYP2C19CES2CES1ALDH1A1

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 12 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
EP-3440081-A1 PYRROLO[1,2-A]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS Lysosomal Therapeutics Inc. (US) 2019-02-13 EP 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
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
US-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 US disclosed
EP-1971596-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS Takeda Pharmaceutical Company Limited (JP) 2008-09-24 EP disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 US disclosed
WO-2007077961-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-12 WO disclosed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 US disclosed
EP-1556032-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY Takeda Pharmaceutical Company Limited (JP) 2005-07-27 EP disclosed
WO-2004039365-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 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-20190315751-A1 PYRROLO[1,2-A]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS PARK7, GAA, SNCA CYP1A2 1991/4885CYP2C19 820/4885CES2 1099/4885
US-11124516-B2 Pyrrolo[1,2-A]pyrimidinyl carboxamide compounds and their use in the treatment of medical disorders PARK7, GAA, SNCA CYP1A2 1991/4885CYP2C19 820/4885CES2 1099/4885
US-20060004069-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 CYP1A2 231/4885CYP2C19 2178/4885CES2 766/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 CYP1A2 231/4885CYP2C19 2178/4885CES2 766/4885
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands NR3C2, NR3C1, MC2R CYP1A2 438/4885CYP2C19 211/4885CES2 2168/4885

“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.