SCHEMBL882940

SCHEMBL882940

BrCc1ncc2ccccc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
GPR3 P46089 1/20 0.42
EGFR P00533 1/20 0.42
CYP1A2 P05177 5/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
ACHE P22303 1/20 0.39
HTR3A P46098 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
CYP2A6 P11509 1/20 0.38
PDE10A Q9Y233 2/20 0.36
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
FDPS P14324 1/20 0.35
PCSK9 Q8NBP7 1/20 0.35
NCF1 P14598 1/20 0.34
NOS2 P35228 1/20 0.34
BACE1 P56817 1/20 0.34

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
SCHEMBL5741619 0.84 KDM4E (0.39) KDM4EGPR3EGFRCYP1A2ALDH1A1
SCHEMBL30553021 0.84 KDM4E (0.39) KDM4EGPR3EGFRCYP1A2ALDH1A1
SCHEMBL9934866 0.79 KDM4E (0.42) KDM4EGPR3EGFRCYP1A2ALDH1A1
SCHEMBL874900 0.79 KMT2A (0.44) KDM4EGPR3EGFRCYP1A2ALDH1A1
SCHEMBL29756554 0.79 KMT2A (0.44) KDM4EGPR3EGFRCYP1A2ALDH1A1
SCHEMBL1514912 0.79 CYP1A2 (0.42) KDM4EGPR3EGFRCYP1A2ALDH1A1
SCHEMBL2263641 0.79 KDM4E (0.42) KDM4EGPR3EGFRCYP1A2ALDH1A1
SCHEMBL6597830 0.79 SORD (0.47) KDM4EGPR3EGFRCYP1A2ALDH1A1
SCHEMBL9971234 0.79 KDM4E (0.42) KDM4EGPR3EGFRCYP1A2ALDH1A1
SCHEMBL290894 0.79 KDM4E (0.42) KDM4EGPR3EGFRCYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230132298-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, LLC 2023-04-27 US disclosed
US-20230132298-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, LLC 2023-04-27 US disclosed
EP-3578562-B1 L-VALINATE AMIDE BENZOXABOROLE DERIVATIVES FOR THE TREATMENT OF PARASITIC DISEASES ANACOR PHARMACEUTICALS INC (US) 2021-06-23 EP disclosed
EP-3578562-A1 L-VALINATE AMIDE BENZOXABOROLE DERIVATIVES FOR THE TREATMENT OF PARASITIC DISEASES Anacor Pharmaceuticals, Inc (US) 2019-12-11 EP disclosed
US-9969742-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2018-05-15 US disclosed
US-20170327519-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, INC. (US) 2017-11-16 US disclosed
WO-2017195069-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, INC. (US) 2017-11-16 WO disclosed
US-9725453-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2017-08-08 US disclosed
US-9725453-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2017-08-08 US disclosed
EP-3181566-A1 IMIDAZOTRIAZINONE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2017-06-21 EP disclosed
EP-0637300-A1 ANTIPROLIFERATIVE QUINAZOLINES AGOURON PHARMACEUTICALS, INC. (US) 1995-02-08 EP disclosed
EP-0608870-A1 Quinoline or quinazoline derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-08-03 EP disclosed
EP-0567107-A1 Quinoline and quinazoline derivatives for treating arthritis TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-27 EP disclosed
WO-1993020055-A1 ANTIPROLIFERATIVE QUINAZOLINES AGOURON PHARMACEUTICALS, INC. (US) 1993-10-14 WO disclosed
US-5187167-A Antitumor agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-16 US disclosed
US-5081124-A Amino acid and polyamino acid derivatives, inhibitors of thymidylate synthetase IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-01-14 US disclosed
EP-0239362-B1 ANTI-TUMOR AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-12-04 EP disclosed
US-4992550-A Thymidylate synthetase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-02-12 US disclosed
EP-0365763-A1 Antiproliferative cyclic compounds AGOURON PHARMACEUTICALS, INC. (US) 1990-05-02 EP disclosed
EP-0239362-A2 Anti-tumor agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-09-30 EP 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-20230132298-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 KDM4E 2081/4885GPR3 1379/4885EGFR 4795/4885
US-20170327519-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 KDM4E 2081/4885GPR3 1379/4885EGFR 4795/4885

“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.