Sugi Predict

Sugi Predict / Compounds / SCHEMBL23978658

SCHEMBL23978658

SCHEMBL23978658

CN(c1ncc2ccccc2n1)c1ccc(Cl)c(C(=O)Cl)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 1/20 0.36
▸ PTGDR2 Q9Y5Y4 2/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ RAD52 P43351 1/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ NPC1 O15118 3/20 0.31
▸ MAP3K5 Q99683 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TSPO P30536 1/20 0.30
▸ RAB9A P51151 2/20 0.30
▸ SMN1; SMN2 Q16637 2/20 0.30

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
SCHEMBL30336944 1.00 FGFR4 (0.36) FGFR4PTGDR2CYP1A2ALDH1A1RAD52
SCHEMBL30336865 0.91 FGFR4 (0.36) FGFR4PTGDR2CYP1A2ALDH1A1RAD52
SCHEMBL23978659 0.91 FGFR4 (0.36) FGFR4PTGDR2CYP1A2ALDH1A1RAD52
SCHEMBL23979061 0.87 MAPT (0.36) FGFR4ALDH1A1KDM4ENPC1MEN1
SCHEMBL23978660 0.81 CYP1A2 (0.37) FGFR4PTGDR2CYP1A2
SCHEMBL23979062 0.76 MAPT (0.35) FGFR4ALDH1A1KDM4ENPC1MEN1
SCHEMBL26496227 0.70 KMT2A (0.38) ALDH1A1KDM4ENPC1MEN1KMT2A
SCHEMBL12003727 0.68 CYP1A2 (0.56) CYP1A2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL31391395 0.68 CYP1A2 (0.56) CYP1A2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3337226 0.67 CYP1A2 (0.47) CYP1A2ALDH1A1KDM4EMEN1KMT2A

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
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 FGFR4 4211/4885PTGDR2 693/4885CYP1A2 2939/4885
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 FGFR4 4211/4885PTGDR2 693/4885CYP1A2 2939/4885

“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.