SCHEMBL19781866

SCHEMBL19781866

CCOC(=O)Cc1cnc(Br)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
TRPA1 O75762 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
DPP4 P27487 1/20 0.37
HCRTR1 O43613 1/20 0.37

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
SCHEMBL16778195 0.84 CYP4F2 (0.44) SMN1; SMN2LMNAALDH1A1KDM4EGAA
SCHEMBL38655175 0.83 SMN1; SMN2 (0.47) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL31292217 0.83 KDM4E (0.38) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL30760421 0.80 MAPT (0.48) SMN1; SMN2MEN1KMT2ATSHRALDH1A1
SCHEMBL31716064 0.80 SMN1; SMN2 (0.45) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL23214039 0.80 MAPT (0.48) SMN1; SMN2MEN1KMT2ATSHRALDH1A1
SCHEMBL24614557 0.80 SMN1; SMN2 (0.53) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL12764804 0.79 KMT2A (0.48) SMN1; SMN2MEN1KMT2ALMNATSHR
SCHEMBL19874265 0.78 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2ALMNATSHR
SCHEMBL17765273 0.76 SMN1; SMN2 (0.42) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115916777-B ATX inhibitor and preparation method and application thereof 苏州爱科百发生物医药技术有限公司 2024-07-12 CN disclosed
US-20230295159-A1 ATX INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF SUZHOU ARK BIOPHARMACEUTICAL CO., LTD. (CN) 2023-09-21 US disclosed
US-20230295159-A1 ATX INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF SUZHOU ARK BIOPHARMACEUTICAL CO., LTD. (CN) 2023-09-21 US disclosed
US-20230295159-A1 ATX INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF SUZHOU ARK BIOPHARMACEUTICAL CO., LTD. (CN) 2023-09-21 US disclosed
EP-4180430-A1 ATX INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF Suzhou Ark Biopharmaceutical Co., Ltd (CN) 2023-05-17 EP disclosed
EP-4180430-A1 ATX INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF Suzhou Ark Biopharmaceutical Co., Ltd (CN) 2023-05-17 EP disclosed
CN-115916777-A ATX inhibitor and preparation method and application thereof 苏州爱科百发生物医药技术有限公司 2023-04-04 CN disclosed
WO-2022007882-A1 ATX INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 苏州爱科百发生物医药技术有限公司 2022-01-13 WO disclosed
CN-113912600-A ATX inhibitor and preparation method and application thereof 苏州爱科百发生物医药技术有限公司 2022-01-11 CN disclosed
US-20190152962-A1 CYCLOPROPYL DERIVATIVES AS ROR-GAMMA MODULATORS CADILA HEALTHCARE LIMITED (IN) 2019-05-23 US disclosed
US-20190152962-A1 CYCLOPROPYL DERIVATIVES AS ROR-GAMMA MODULATORS CADILA HEALTHCARE LIMITED (IN) 2019-05-23 US disclosed
EP-3481809-A1 CYCLOPROPYL DERIVATIVES AS ROR-GAMMA MODULATORS Cadila Healthcare Limited (IN) 2019-05-15 EP disclosed
WO-2018011746-A1 CYCLOPROPYL DERIVATIVES AS ROR-GAMMA MODULATORS CADILA HEALTHCARE LIMITED (IN) 2018-01-18 WO disclosed
WO-2018011746-A1 CYCLOPROPYL DERIVATIVES AS ROR-GAMMA MODULATORS CADILA HEALTHCARE LIMITED (IN) 2018-01-18 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-20190152962-A1 CYCLOPROPYL DERIVATIVES AS ROR-GAMMA MODULATORS RORC, RORB, RORA SMN1; SMN2 3885/4885MEN1 4599/4885KMT2A 3541/4885
US-20230295159-A1 ATX INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF ATXN10, GCG, ATXN2L SMN1; SMN2 585/4885MEN1 579/4885KMT2A 976/4885

“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.