SCHEMBL30833043

SCHEMBL30833043

O=C1NCc2cccc(Nc3nc(Nc4ccc(N5CCNCC5)cc4OC(F)F)ncc3Cl)c21

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAPK3 P27361 1/20 0.66
▸ ALK Q9UM73 15/20 0.63
▸ EGFR P00533 4/20 0.55

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
SCHEMBL24620313 1.00 MAPK3 (0.66) MAPK3ALKEGFR
SCHEMBL24620315 0.97 MAPK3 (0.63) MAPK3ALKEGFR
SCHEMBL29791417 0.97 MAPK3 (0.63) MAPK3ALKEGFR
SCHEMBL30833035 0.93 EGFR (0.60) MAPK3ALKEGFR
SCHEMBL24620280 0.93 EGFR (0.60) MAPK3ALKEGFR
SCHEMBL24620266 0.93 ALK (0.62) MAPK3ALKEGFR
SCHEMBL30833027 0.93 ALK (0.62) MAPK3ALKEGFR
SCHEMBL24620228 0.93 ALK (0.63) MAPK3ALK
SCHEMBL24620272 0.93 ALK (0.61) MAPK3ALKEGFR
SCHEMBL30833049 0.93 ALK (0.63) MAPK3ALK

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-20240092763-A1 ISOINDOLINONE AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF NUAK KINASES, COMPOSITIONS AND USES THEREOF SINAI HEALTH SYSTEM (CA) 2024-03-21 — — US claimed
US-20240092763-A1 ISOINDOLINONE AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF NUAK KINASES, COMPOSITIONS AND USES THEREOF SINAI HEALTH SYSTEM (CA) 2024-03-21 — — 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-20240092763-A1 ISOINDOLINONE AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF NUAK KINASES, COMPOSITIONS AND USES THEREOF NUAK1, NUAK2, NEK1 MAPK3 387/4885ALK 430/4885EGFR 1022/4885

“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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