SCHEMBL5700141

SCHEMBL5700141

CC(=O)c1cncc(I)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 1/20 0.47
▸ MKNK2 Q9HBH9 1/20 0.47
▸ CYP11B2 P19099 4/20 0.41
▸ CYP11B1 P15538 3/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ HCAR2 Q8TDS4 4/20 0.41
▸ XDH P47989 1/20 0.38
▸ CA5A P35218 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ATM Q13315 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ DDO Q99489 1/20 0.36
▸ FOLH1 Q04609 2/20 0.35
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 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
SCHEMBL3500223 0.84 MKNK1 (0.55) MKNK1MKNK2CYP11B2CYP11B1CYP1A2
SCHEMBL27839305 0.82 HTT (0.46) HCAR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL2112627 0.80 HCAR2 (0.57) MKNK1MKNK2HCAR2KDM4EALDH1A1
SCHEMBL29519642 0.80 HCAR2 (0.57) MKNK1MKNK2HCAR2KDM4EALDH1A1
SCHEMBL1477605 0.78 SIRT2 (0.45) MKNK1MKNK2CYP11B2CYP11B1KDM4E
SCHEMBL21935429 0.78 MKNK1 (0.47) MKNK1MKNK2CYP11B2CYP11B1CYP1A2
SCHEMBL5700309 0.78 HCAR2 (0.32) HCAR2
SCHEMBL5699966 0.78 SMN1; SMN2 (0.43) CYP11B2CYP1A2CYP3A4HCAR2KDM4E
SCHEMBL2247463 0.78 ATM (0.65) CYP11B2CYP11B1XDHKDM4EALDH1A1
SCHEMBL18103155 0.78 RAF1 (0.47) MKNK1MKNK2CYP11B2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021057975-A1 MUTANT IDH2 INHIBITOR AND APPLICATION THEREOF 贝达药业股份有限公司 2021-04-01 — — WO disclosed
EP-1270582-B1 TRIPHENYLPHOSPHINE DERIVATIVES, PALLADIUM OR NICKEL COMPLEXES THEREOF, AND PROCESS FOR PREPARING BIARYL DERIVATIVES MITSUBISHI RAYON CO (JP) 2006-08-30 — — EP disclosed
US-6693210-B2 USING PALLADIUM, NICKEL PHOSPHINE COMPLEX AS CATALYSTS MITSUBISHI RAYON CO., LTD. (JP) 2004-02-17 — — US disclosed
US-20030065208-A1 Using palladium, nickel phosphine complex as catalysts MITSUBISHI RAYON CO., LTD. (JP) 2003-04-03 — — US disclosed
EP-1270582-A1 TRIPHENYLPHOSPHINE DERIVATIVE, PRODUCTION PROCESS THEREFOR, PALLADIUM COMPLEX THEREOF, AND PROCESS FOR PRODUCING BIARYL DERIVATIVE Mitsubishi Rayon Co., Ltd. (JP) 2003-01-02 — — 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 (1 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-20030065208-A1 Using palladium, nickel phosphine complex as catalysts PDCD1LG2, PIK3CA, PDCD1 MKNK1 744/4885MKNK2 858/4885CYP11B2 1264/4885

“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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