SCHEMBL3178484

SCHEMBL3178484

CC(CN)c1cccc(Br)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.57
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
MAOA P21397 1/20 0.43
PARP1 P09874 1/20 0.43
HTR2A P28223 1/20 0.42
GBA1 P04062 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
MBTD1 Q05BQ5 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.39

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
SCHEMBL30176770 1.00 TAAR1 (0.57) TAAR1IDO1TDO2MAOAPARP1
Hydrochloric Acid SCHEMBL3176975 0.98 TAAR1 (0.55) TAAR1IDO1TDO2MAOAPARP1
SCHEMBL3005201 0.85 TAAR1 (0.70) TAAR1HTR2A
SCHEMBL2758515 0.82 HDAC4 (0.53) IDO1TDO2MAOAPARP1GBA1
SCHEMBL6842241 0.81 TAAR1 (0.46) TAAR1IDO1TDO2MAOAPARP1
SCHEMBL5922493 0.80 ABCB11 (0.43) IDO1TDO2MAOAPARP1ALDH1A1
SCHEMBL16307089 0.80 ABCB11 (0.43) IDO1TDO2MAOAPARP1ALDH1A1
SCHEMBL12614581 0.79 TAAR1 (0.61) TAAR1HTR2AALDH1A1
SCHEMBL11078413 0.79 IDO1 (0.52) TAAR1IDO1TDO2MAOAPARP1
SCHEMBL4158091 0.79 TAAR1 (0.48) TAAR1IDO1HTR2A

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240262795-A1 PYRAZINE COMPOUNDS AS INHIBITORS OF FLT3 BIOMEA FUSION, INC. 2024-08-08 US disclosed
EP-4370506-A1 PYRAZINE COMPOUNDS AS INHIBITORS OF FLT3 Biomea Fusion, Inc. (US) 2024-05-22 EP disclosed
US-11945785-B2 Pyrazine compounds as inhibitors of FLT3 BIOMEA FUSION, INC. (US) 2024-04-02 US disclosed
EP-4330236-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Denali Therapeutics Inc. (US) 2024-03-06 EP disclosed
US-20230416205-A1 COMPOUNDS, COMPOSITIONS, AND METHODS TENVIE THERAPEUTICS, INC. 2023-12-28 US disclosed
US-20230339867-A1 PYRAZINE COMPOUNDS AS INHIBITORS OF FLT3 BIOMEA FUSION, INC. 2023-10-26 US disclosed
US-20230339867-A1 PYRAZINE COMPOUNDS AS INHIBITORS OF FLT3 BIOMEA FUSION, INC. 2023-10-26 US disclosed
US-20230339867-A1 PYRAZINE COMPOUNDS AS INHIBITORS OF FLT3 BIOMEA FUSION, INC. 2023-10-26 US disclosed
EP-4247376-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Denali Therapeutics Inc. (US) 2023-09-27 EP disclosed
CN-116507608-A Compounds, compositions, and methods 戴纳立制药公司 2023-07-28 CN disclosed
WO-2005095326-A2 2-AMINO- AND 2-THIO-SUBSTITUTED 1,3-DIAMINOPROPANES ELAN PHARMACEUTICALS, INC. (US) 2005-10-13 WO disclosed
EP-1565443-A2 ACETYL 2-HYDROXY-1,3 DIAMINOALKANES Elan Pharmaceuticals, Inc. (US) 2005-08-24 EP disclosed
WO-2005070932-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2005-08-04 WO disclosed
US-20040180939-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS INC. 2004-09-16 US disclosed
EP-1296945-B1 SULFONAMIDE DERIVATIVES LILLY CO ELI (US) 2004-08-04 EP disclosed
WO-2004024081-A2 ACETYL 2-HYDROXY-1,3 DIAMINOALKANES ELAN PHARMACEUTICALS, INC. (US) 2004-03-25 WO disclosed
US-6703425-B2 ADMINISTERING GLUTAMATE RECEPTOR POTENTIATOR TO TREAT PSYCHOLOGICAL AND NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY 2004-03-09 US disclosed
US-20030229102-A1 Sulfonamide derivatives ELI LILLY AND COMPANY 2003-12-11 US disclosed
EP-1296945-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2003-04-02 EP disclosed
WO-2001096289-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-12-20 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 (6 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-20240262795-A1 PYRAZINE COMPOUNDS AS INHIBITORS OF FLT3 FLT3, MCL1, CSF3R TAAR1 4457/4885IDO1 1487/4885TDO2 3176/4885
US-11945785-B2 Pyrazine compounds as inhibitors of FLT3 FLT3, MCL1, JAK2 TAAR1 4339/4885IDO1 1134/4885TDO2 2704/4885
US-20230416205-A1 COMPOUNDS, COMPOSITIONS, AND METHODS NLRP3, NLRP1, NOD1 TAAR1 4100/4885IDO1 2259/4885TDO2 2264/4885
US-20230339867-A1 PYRAZINE COMPOUNDS AS INHIBITORS OF FLT3 FLT3, MCL1, CSF3R TAAR1 4457/4885IDO1 1487/4885TDO2 3176/4885
US-20040180939-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes BACE1, BACE2, APP TAAR1 1479/4885IDO1 2272/4885TDO2 3186/4885
US-20030229102-A1 Sulfonamide derivatives GRIN1, GRIN2A, SLC1A2 TAAR1 376/4885IDO1 1324/4885TDO2 2742/4885

“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.