SCHEMBL20487654

SCHEMBL20487654

O=C(O)/C=C/c1ccc(Br)nc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 1/20 0.47
▸ EIF2AK2 P19525 1/20 0.42
▸ CSNK2A2 P19784 1/20 0.42
▸ CSNK2B P67870 1/20 0.42
▸ CSNK2A1 P68400 1/20 0.42
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA4 P22748 2/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ KDM4E B2RXH2 4/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TDO2 P48775 1/20 0.39
▸ EPRS1 P07814 1/20 0.37
▸ HCAR2 Q8TDS4 2/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ TNKS O95271 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC2 Q92769 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
SCHEMBL20487655 1.00 MIF (0.47) MIFEIF2AK2CSNK2A2CSNK2BCSNK2A1
SCHEMBL19834781 0.82 MIF (0.50) MIFEIF2AK2CSNK2A2CSNK2BCSNK2A1
SCHEMBL19834782 0.82 MIF (0.50) MIFEIF2AK2CSNK2A2CSNK2BCSNK2A1
SCHEMBL32681226 0.81 ALDH1A1 (0.44) CA1CA2KDM4EHCAR2ALDH1A1
SCHEMBL25930990 0.77 CA12 (0.46) CA1CA2KDM4ETDO2CCNC
SCHEMBL29468237 0.77 CA12 (0.46) CA1CA2KDM4ETDO2CCNC
SCHEMBL23726224 0.74 TRIM24 (0.36) LMNAALDH1A1MEN1KMT2A
SCHEMBL31520815 0.74 TRIM24 (0.36) LMNAALDH1A1MEN1KMT2A
SCHEMBL1988899 0.70 TDO2 (0.54) MIFEIF2AK2CSNK2A2CSNK2BCSNK2A1
SCHEMBL1469977 0.70 MIF (0.67) MIFEIF2AK2CSNK2A2CSNK2BCSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 — — US disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 — — US disclosed
US-20220396563-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2022-12-15 — — US disclosed
EP-3985002-A1 ARYL, HETEROARY, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS Achillion Pharmaceuticals, Inc. (US) 2022-04-20 — — EP disclosed
US-11084800-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2021-08-10 — — US disclosed
US-20200071301-A1 Aryi, Heteroaryl, and Heterocyclic Pharmaceutical Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-03-05 — — US disclosed
WO-2018160889-A1 ARYL, HETEROARY, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-09-07 — — 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-20200071301-A1 Aryi, Heteroaryl, and Heterocyclic Pharmaceutical Compounds for Treatment of Medical Disorders CFD, TFPI, CFH MIF 1619/4885EIF2AK2 2757/4885CSNK2A2 2166/4885
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH MIF 1153/4885EIF2AK2 3098/4885CSNK2A2 1935/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH MIF 1153/4885EIF2AK2 3098/4885CSNK2A2 1935/4885
US-20220396563-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH MIF 1153/4885EIF2AK2 3098/4885CSNK2A2 1935/4885
US-11084800-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH MIF 1153/4885EIF2AK2 3098/4885CSNK2A2 1935/4885

“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.

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