SCHEMBL23978706

SCHEMBL23978706

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.45
FGFR1 P11362 3/20 0.41
FGFR2 P21802 3/20 0.41
FGFR4 P22455 3/20 0.41
FGFR3 P22607 3/20 0.41
LRRK2 Q5S007 3/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ULK1 O75385 1/20 0.37
ACVR1 Q04771 1/20 0.37
ALK Q9UM73 2/20 0.37
IGF1R P08069 1/20 0.37
SIRT5 Q9NXA8 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL23978627 0.87 MAP3K5 (0.44) MAP3K5FGFR1FGFR2FGFR4FGFR3
SCHEMBL30337057 0.87 MAP3K5 (0.44) MAP3K5FGFR1FGFR2FGFR4FGFR3
SCHEMBL23978646 0.78 INSR (0.36) MAP3K5FGFR1FGFR2FGFR4FGFR3
SCHEMBL5999655 0.78 PTK2 (0.53) MAP3K5RAB9AKDM4EALDH1A1HPGD
SCHEMBL23978630 0.76 FGFR1 (0.34) MAP3K5FGFR1FGFR2FGFR4FGFR3
SCHEMBL23979061 0.75 MAPT (0.36) FGFR4RAB9AKDM4ENPC1ALDH1A1
SCHEMBL23979062 0.75 MAPT (0.35) FGFR4RAB9AKDM4ENPC1ALDH1A1
SCHEMBL23979058 0.74 ITGB1 (0.39) MAP3K5SIRT5
SCHEMBL28185608 0.70 MAP3K5 (0.51) MAP3K5KDM4EALDH1A1HPGDACVR1
SCHEMBL6467426 0.68 MAP3K5 (0.54) MAP3K5FGFR1FGFR3KDM4EALDH1A1

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 4306/4885FGFR1 4431/4885FGFR2 2583/4885
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 MAP3K5 4306/4885FGFR1 4431/4885FGFR2 2583/4885

“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.