SCHEMBL2525608

SCHEMBL2525608

COC(=O)c1cc(N)cc(C)c1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.46
KDM4E B2RXH2 8/20 0.43
ALDH1A1 P00352 6/20 0.42
HSD17B10 Q99714 3/20 0.42
HPGD P15428 3/20 0.42
MAPT P10636 3/20 0.42
GLA P06280 2/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
ATM Q13315 1/20 0.42
CFTR P13569 2/20 0.42
ABL1 P00519 1/20 0.41
TSHR P16473 2/20 0.40
ALOX15 P16050 1/20 0.40
POLB P06746 1/20 0.40
NQO2 P16083 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA12 O43570 2/20 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
SCHEMBL29608598 1.00 GAA (0.46) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL3726666 0.84 GAA (0.47) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL1636595 0.81 KDM4E (0.43) GAAKDM4EALDH1A1HSD17B10MAPT
SCHEMBL524175 0.81 GAA (0.49) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL28601825 0.81 XDH (0.41) GAAKDM4EALDH1A1MAPTPOLB
SCHEMBL3719012 0.81 GAA (0.45) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL3722864 0.81 NQO2 (0.51) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL23599863 0.80 CYP3A4 (0.53) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL11253706 0.80 GAA (0.51) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL2811429 0.79 GAA (0.53) GAAKDM4EALDH1A1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4539855-A1 BORON CONTAINING PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, METHODS AND USES THEREOF Borah, Inc. (US) 2025-04-23 EP disclosed
CN-119343143-A Boron-containing pyrimidine compounds, compositions containing them, methods and uses thereof 博拉公司 2025-01-21 CN disclosed
CN-114341145-B Chemical compound 博拉公司 2024-08-16 CN disclosed
US-20240132525-A1 BORON CONTAINING PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, METHODS AND USES THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2024-04-25 US disclosed
WO-2023244775-A1 BORON CONTAINING PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, METHODS AND USES THEREOF Boehringer Ingelheim Animal Health USA Inc. (US) 2023-12-21 WO disclosed
EP-3077008-B1 BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS HAN JIE (CN) 2023-10-04 EP disclosed
CN-114341145-A Chemical compound 博拉公司 2022-04-12 CN disclosed
WO-2021003501-A1 CHEMICAL COMPOUNDS Boragen, Inc. (US) 2021-01-07 WO disclosed
US-20150246958-A1 BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS BAIKANG (SUZHOU) CO., LTD (CN) 2015-09-03 US disclosed
US-20150246958-A1 BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS BAIKANG (SUZHOU) CO., LTD (CN) 2015-09-03 US disclosed
WO-2015081891-A1 BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS BAIKANG (SUZHOU) CO., LTD (CN) 2015-06-11 WO disclosed
US-8039506-B2 Bicyclic lactam factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 US disclosed
US-20100041664-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-02-18 US 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 (3 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-20100041664-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F7, F8, F9 GAA 2210/4885KDM4E 1588/4885ALDH1A1 4405/4885
US-20150246958-A1 BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS NOS2, EGLN2, HPGD GAA 942/4885KDM4E 1589/4885ALDH1A1 234/4885
US-20240132525-A1 BORON CONTAINING PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, METHODS AND USES THEREOF JAK2, JAK1, JAK3 GAA 1742/4885KDM4E 1764/4885ALDH1A1 3629/4885

“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.