SCHEMBL21591663

SCHEMBL21591663

CSc1nc2ccncc2nc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
PKM P14618 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
GAA P10253 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31

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
SCHEMBL29757578 0.82 TDP1 (0.52) TDP1NPC1RAB9ASMN1; SMN2PKM
SCHEMBL2300291 0.82 TDP1 (0.52) TDP1NPC1RAB9ASMN1; SMN2PKM
SCHEMBL16077771 0.78 TDP1 (0.61) TDP1PKMALDH1A1KDM4EHPGD
SCHEMBL2423051 0.73 GAA (0.42) TDP1NPC1RAB9ASMN1; SMN2PKM
SCHEMBL16818196 0.69 LATS1 (0.50) ALDH1A1L3MBTL1RXFP1LATS1LATS2
SCHEMBL16818331 0.69 LATS1 (0.48) KDM4EL3MBTL1RXFP1LATS1LATS2
SCHEMBL16077788 0.69 KDM4E (0.46) TDP1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL16843316 0.69 PDE2A (0.40) TDP1NPC1RAB9AALDH1A1KDM4E
SCHEMBL12134964 0.68 NPC1 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL31050977 0.66 MAPT (0.58) TDP1NPC1RAB9AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12486273-B2 Hydro-1H-pyrrolo[1,2-a]pyrazine compounds for the treatment of autoimmune disease HOFFMANN-LA ROCHE INC. (US) 2025-12-02 US disclosed
US-12187726-B1 Imidazo[1,5-a]pyrido[4,3-e]pyrazines as CK2 inhibitors King Faisal University (SA) 2025-01-07 US disclosed
CN-114728976-B Hydrogen-1H-pyrrolo [1,2-a ] pyrazine compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2024-08-16 CN disclosed
EP-3807270-B1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-09-13 EP disclosed
EP-3807270-B1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-09-13 EP disclosed
US-11713327-B2 Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease HOFFMANN-LA ROCHE INC. (US) 2023-08-01 US disclosed
US-11713327-B2 Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease HOFFMANN-LA ROCHE INC. (US) 2023-08-01 US disclosed
US-11713327-B2 Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease HOFFMANN-LA ROCHE INC. (US) 2023-08-01 US disclosed
US-20230219959-A1 HYDRO-1H-PYRROLO[1,2-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-07-13 US disclosed
US-20230219959-A1 HYDRO-1H-PYRROLO[1,2-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-07-13 US disclosed
EP-4061816-A1 HYDRO-1H-PYRROLO[1,2-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2022-09-28 EP disclosed
CN-114728976-A HYDRO-1H-PYRROLO [1,2-A ] PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISORDERS 豪夫迈·罗氏有限公司 2022-07-08 CN disclosed
US-20210300947-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-09-30 US disclosed
US-20210300947-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-09-30 US disclosed
WO-2021099284-A1 HYDRO-1H-PYRROLO[1,2-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2021-05-27 WO disclosed
WO-2021099284-A1 HYDRO-1H-PYRROLO[1,2-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2021-05-27 WO disclosed
EP-3807270-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2021-04-21 EP disclosed
CN-112313228-A Novel heteroaryl heterocyclyl compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2021-02-02 CN disclosed
WO-2019238616-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2019-12-19 WO disclosed
WO-2019238616-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2019-12-19 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-12187726-B1 Imidazo[1,5-a]pyrido[4,3-e]pyrazines as CK2 inhibitors CSNK2A1, CSNK2A2, CSNK1A1 TDP1 2278/4885NPC1 3880/4885RAB9A 4062/4885
US-11713327-B2 Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease SSB, UACA, HLA-DRB1 TDP1 2722/4885NPC1 1635/4885RAB9A 248/4885
US-20210300947-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE SSB, UACA, HLA-DRB1 TDP1 2877/4885NPC1 1410/4885RAB9A 190/4885
US-20230219959-A1 HYDRO-1H-PYRROLO[1,2-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE AQP1, HRH2, HRH1 TDP1 1571/4885NPC1 3149/4885RAB9A 1108/4885
US-12486273-B2 Hydro-1H-pyrrolo[1,2-a]pyrazine compounds for the treatment of autoimmune disease AQP1, HRH2, HRH1 TDP1 1571/4885NPC1 3149/4885RAB9A 1108/4885

“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.