SCHEMBL25935962

SCHEMBL25935962

C/C=C\C(=C/C)NCc1ncc(-c2ccc3c(N)n[nH]c3c2)cn1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 4/20 0.45
▸ BCR P11274 4/20 0.45
▸ JAK2 O60674 1/20 0.44
▸ PDPK1 O15530 12/20 0.43
▸ GSK3B P49841 1/20 0.41
▸ AURKA O14965 4/20 0.39
▸ TGFBR1 P36897 4/20 0.39
▸ AURKB Q96GD4 4/20 0.39
▸ ROCK1 Q13464 3/20 0.39
▸ SGK1 O00141 2/20 0.39
▸ CHUK O15111 1/20 0.39
▸ RPS6KB1 P23443 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ SYK P43405 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ MAP3K5 Q99683 1/20 0.39

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
SCHEMBL24137540 0.74 JAK2 (0.58) JAK2PDPK1AURKATGFBR1AURKB
SCHEMBL25935940 0.74 GSK3B (0.46) JAK2GSK3B
SCHEMBL25933239 0.70 ABL1 (0.54) ABL1BCRJAK2PDPK1AURKA
SCHEMBL24137787 0.69 JAK2 (0.61) JAK2PDPK1GSK3BAURKATGFBR1
SCHEMBL6478095 0.69 JAK2 (0.59) ABL1BCRJAK2PDPK1GSK3B
SCHEMBL6480460 0.68 PDPK1 (0.65) JAK2PDPK1GSK3BAURKATGFBR1
SCHEMBL24137502 0.68 JAK2 (0.48) JAK2PDPK1AURKATGFBR1AURKB
SCHEMBL24137503 0.68 MAP2K4 (0.55) ABL1BCRJAK2PDPK1AURKA
SCHEMBL24137497 0.67 MAP2K4 (0.54) JAK2PDPK1AURKATGFBR1AURKB
SCHEMBL25933236 0.67 PDPK1 (0.49) ABL1BCRJAK2PDPK1AURKA

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 1 patent. 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

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 ABL1 326/4885BCR 3288/4885JAK2 228/4885

“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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