SCHEMBL1928996

SCHEMBL1928996

FC(F)COc1ccc(Br)cn1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
GABRA5 P31644 1/20 0.38
GBA1 P04062 1/20 0.35
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.33
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
PLAU P00749 1/20 0.32
FDPS P14324 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL23414171 0.82 KDM4E (0.38) KDM4EGABRA5GBA1ALDH1A1THRB
SCHEMBL10154541 0.81 GABRA5 (0.42) KDM4EGABRA5GBA1ALDH1A1
SCHEMBL22439862 0.78 GRM5 (0.38) KDM4EGABRA5ALDH1A1L3MBTL1
SCHEMBL23026341 0.78 KDM4E (0.43) KDM4EGABRA5GBA1ALDH1A1THRB
SCHEMBL27226892 0.78 KDM4E (0.41) KDM4EGABRA5GBA1ALDH1A1THRB
SCHEMBL30815211 0.78 KDM4E (0.41) KDM4EGABRA5GBA1ALDH1A1THRB
SCHEMBL23414082 0.78 KDM4E (0.40) KDM4EGABRA5GBA1ALDH1A1THRB
SCHEMBL11918318 0.77 RXRA (0.40) KDM4EALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL28670244 0.77 KDM4E (0.47) KDM4EALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL16498615 0.77 KDM4E (0.39) KDM4EGABRA5GBA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3870573-B1 FUNCTIONALIZED AMINOTRIAZINES LEADXPRO AG (CH) 2023-08-02 EP disclosed
WO-2023088408-A1 SELECTIVE PARP1 INHIBITOR AND APPLICATION THEREOF 成都百裕制药股份有限公司 2023-05-25 WO disclosed
US-11479546-B2 Antimalarial hexahydropyrimidine analogues UCB Biopharma SRL 2022-10-25 US disclosed
EP-3774741-B1 ANTIMALARIAL HEXAHYDROPYRIMIDINE ANALOGUES UCB Biopharma SRL (BE) 2022-06-08 EP disclosed
US-20210094941-A1 Antimalarial Hexahydropyrimidine Analogues UCB Biopharma SRL (BE) 2021-04-01 US disclosed
EP-3774741-A1 ANTIMALARIAL HEXAHYDROPYRIMIDINE ANALOGUES UCB Biopharma SRL (BE) 2021-02-17 EP disclosed
CN-111936472-A Anti-malarial hexahydropyrimidine analogues UCB生物制药有限责任公司 2020-11-13 CN disclosed
WO-2019192992-A1 ANTIMALARIAL HEXAHYDROPYRIMIDINE ANALOGUES UCB BIOPHARMA SPRL (BE) 2019-10-10 WO disclosed
US-20110152234-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-06-23 US disclosed
US-7956084-B2 Phenyl thiophene carboxamide compounds as inhibitors of the enzyme IKK-2 ASTRAZENECA AB (SE) 2011-06-07 US disclosed
EP-1421074-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-29 EP disclosed
US-20070015819-A1 Novel compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2007-01-18 US disclosed
US-7125896-B2 Thiophene carboxamide compounds as inhibitors of enzyme IKK-2 ASTRAZENECA AB (SE) 2006-10-24 US disclosed
US-20040242573-A1 Novel compounds ASTRAZENECA AB (SE) 2004-12-02 US disclosed
EP-1421074-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-05-26 EP disclosed
WO-2003010158-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-02-06 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-11479546-B2 Antimalarial hexahydropyrimidine analogues G6PD, DPYD, DHODH KDM4E 1104/4885GABRA5 3767/4885GBA1 3102/4885
US-20070015819-A1 Novel compounds CNR1, ABCG2, CNR2 KDM4E 665/4885GABRA5 1502/4885GBA1 339/4885
US-20040242573-A1 Novel compounds SULT1E1, TPMT, UGT1A1 KDM4E 630/4885GABRA5 2376/4885GBA1 359/4885
US-20210094941-A1 Antimalarial Hexahydropyrimidine Analogues G6PD, DPYD, DHODH KDM4E 1104/4885GABRA5 3767/4885GBA1 3102/4885
US-20110152234-A1 Novel Compounds CNR1, ABCG2, CNR2 KDM4E 665/4885GABRA5 1502/4885GBA1 339/4885

“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.