SCHEMBL25936322

SCHEMBL25936322

CNc1n[nH]c2cc(-c3cnc(NCc4ccc(C)cc4)nc3)ccc12

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAP2K4 P45985 2/20 0.47
▸ FGFR1 P11362 1/20 0.47
▸ GSK3B P49841 9/20 0.47
▸ ABL1 P00519 1/20 0.39
▸ BCR P11274 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ WNT3A P56704 3/20 0.38
▸ QPCT Q16769 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ PDPK1 O15530 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
SCHEMBL25933239 0.86 ABL1 (0.54) ABL1BCRPDPK1
SCHEMBL25936276 0.79 GSK3B (0.37) MAP2K4FGFR1GSK3BHDAC6CYP1A2
SCHEMBL25936342 0.76 GSK3B (0.37) MAP2K4FGFR1GSK3BCYP1A2PDPK1
SCHEMBL21656763 0.76 GSK3B (0.44) GSK3BPDPK1
SCHEMBL24137502 0.74 JAK2 (0.48) HDAC6PDPK1
SCHEMBL24137503 0.74 MAP2K4 (0.55) MAP2K4ABL1BCRPDPK1
SCHEMBL24137497 0.74 MAP2K4 (0.54) MAP2K4FGFR1HDAC6PDPK1
SCHEMBL25933236 0.74 PDPK1 (0.49) FGFR1ABL1BCRCYP1A2PDPK1
SCHEMBL14942621 0.73 ITK (0.47) MAP2K4GSK3BHDAC6
SCHEMBL24137787 0.73 JAK2 (0.61) FGFR1GSK3BPDPK1

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 MAP2K4 97/4885FGFR1 600/4885GSK3B 267/4885

“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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