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Sugi Predict / Compounds / SCHEMBL23978627

SCHEMBL23978627

SCHEMBL23978627

O=C(O)c1c(Cl)ccc(Nc2ncc3ccccc3n2)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 1/20 0.44
▸ AURKA O14965 4/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ PBRM1 Q86U86 1/20 0.37
▸ FGFR1 P11362 1/20 0.37
▸ FGFR2 P21802 1/20 0.37
▸ FGFR4 P22455 1/20 0.37
▸ FGFR3 P22607 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ FDPS P14324 1/20 0.37
▸ WEE1 P30291 1/20 0.37
▸ ULK1 O75385 1/20 0.37
▸ ROCK1 Q13464 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
SCHEMBL30337057 1.00 MAP3K5 (0.44) MAP3K5AURKAHDAC3HDAC1HDAC2
SCHEMBL23978706 0.87 MAP3K5 (0.45) MAP3K5FGFR1FGFR2FGFR4FGFR3
SCHEMBL23979058 0.79 ITGB1 (0.39) MAP3K5
SCHEMBL23978646 0.75 INSR (0.36) MAP3K5FGFR1FGFR2FGFR4FGFR3
SCHEMBL23978630 0.73 FGFR1 (0.34) MAP3K5FGFR1FGFR2FGFR4FGFR3
SCHEMBL6467426 0.71 MAP3K5 (0.54) MAP3K5AURKAJAK2AURKBFGFR1
SCHEMBL30336865 0.71 FGFR4 (0.36) AURKAHDAC3HDAC1HDAC2HDAC6
SCHEMBL23978659 0.71 FGFR4 (0.36) AURKAHDAC3HDAC1HDAC2HDAC6
SCHEMBL167891 0.68 MAP3K5 (0.60) MAP3K5AURKAJAK2AURKBFGFR1
SCHEMBL31381352 0.68 MAP3K5 (0.60) MAP3K5AURKAJAK2AURKBFGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-09 — — US disclosed
US-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-09 — — US disclosed
US-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-09 — — US disclosed
CN-115916176-A Inhibitors of alpha 2 beta 1 integrin and methods of use thereof 加利福尼亚大学董事会 2023-04-04 — — CN disclosed
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-12-29 — — US disclosed
WO-2021222789-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-11-04 — — 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 (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-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof ITGB1, ITGB2, ITGA2 MAP3K5 4306/4885AURKA 3018/4885HDAC3 981/4885
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 MAP3K5 4306/4885AURKA 3018/4885HDAC3 981/4885

“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.