SCHEMBL25933254

SCHEMBL25933254

Nc1n[nH]c2cc(-c3cnc(NCc4ccc(OC5CCCCC5)cc4)nc3)ccc12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.50
▸ SGK1 O00141 3/20 0.45
▸ PDPK1 O15530 9/20 0.41
▸ TGFBR1 P36897 3/20 0.41
▸ AURKB Q96GD4 3/20 0.41
▸ AURKA O14965 2/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ JAK2 O60674 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CLK2 P49760 1/20 0.38
▸ CLK3 P49761 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ FGFR1 P11362 1/20 0.38
▸ MAP2K4 P45985 1/20 0.37
▸ SCN5A Q14524 1/20 0.37
▸ SCN9A Q15858 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
SCHEMBL24137528 0.99 BTK (0.51) BTKSGK1PDPK1TGFBR1AURKB
SCHEMBL24137526 0.95 BTK (0.45) BTKSGK1PDPK1TGFBR1AURKB
SCHEMBL24137497 0.83 MAP2K4 (0.54) PDPK1TGFBR1AURKBAURKAROCK1
SCHEMBL25933252 0.81 JAK2 (0.52) BTKSGK1PDPK1TGFBR1AURKB
SCHEMBL24137793 0.81 MAPK1 (0.48) PDPK1JAK2FGFR1MAP2K4SCN5A
SCHEMBL25933239 0.80 ABL1 (0.54) SGK1PDPK1TGFBR1AURKBAURKA
SCHEMBL24137503 0.80 MAP2K4 (0.55) SGK1PDPK1TGFBR1AURKBAURKA
SCHEMBL24137502 0.80 JAK2 (0.48) SGK1PDPK1TGFBR1AURKBAURKA
SCHEMBL24137787 0.79 JAK2 (0.61) SGK1PDPK1TGFBR1AURKBAURKA
SCHEMBL24137524 0.77 SGK1 (0.48) SGK1PDPK1AURKBAURKAJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234935-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2023-07-27 — — US disclosed
US-20230234935-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2023-07-27 — — US 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-20230234935-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE PACSIN2, MAP3K20, PHKG1 BTK 417/4885SGK1 191/4885PDPK1 123/4885

“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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