SCHEMBL29791404

SCHEMBL29791404

COc1c(Nc2ncc(C(F)(F)F)c(Nc3cccc4c3C(=O)NC4)n2)ccc(N2CCC(N3CCN(C)CC3)CC2)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 6/20 0.47
▸ ALK Q9UM73 13/20 0.46
▸ INSR P06213 10/20 0.46
▸ IGF1R P08069 10/20 0.46
▸ PLK1 P53350 2/20 0.45
▸ LRRK2 Q5S007 2/20 0.44
▸ MAPK7 Q13164 1/20 0.44
▸ CHEK1 O14757 1/20 0.43
▸ AURKA O14965 1/20 0.43
▸ NUAK1 O60285 1/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ STK10 O94804 1/20 0.43
▸ PRKD3 O94806 1/20 0.43
▸ SLC34A2 O95436 1/20 0.43
▸ CHEK2 O96017 1/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ CD74 P04233 1/20 0.43
▸ ERBB2 P04626 1/20 0.43
▸ LCK P06239 1/20 0.43
▸ FYN P06241 1/20 0.43

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
SCHEMBL24620222 1.00 EGFR (0.47) EGFRALKINSRIGF1RPLK1
SCHEMBL24620286 0.95 PLK1 (0.48) EGFRALKINSRIGF1RPLK1
SCHEMBL24620287 0.94 ALK (0.47) EGFRALKINSRIGF1RPLK1
SCHEMBL24620243 0.91 ALK (0.56) EGFRALKINSRIGF1RPLK1
SCHEMBL29791462 0.91 ALK (0.56) EGFRALKINSRIGF1RPLK1
SCHEMBL24620285 0.91 ALK (0.46) EGFRALKINSRIGF1RLRRK2
SCHEMBL24620341 0.88 ALK (0.42) EGFRALKLRRK2PTK2
SCHEMBL24620340 0.83 ALK (0.44) EGFRALKFLT3PTK2BTK
SCHEMBL30833026 0.83 ALK (0.44) EGFRALKFLT3PTK2BTK
SCHEMBL24620633 0.82 ALK (0.56) EGFRALKINSRIGF1RPLK1

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 4 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
EP-4277902-A1 ISOINDOLINONE AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF NUAK KINASES, COMPOSITIONS AND USES THEREOF Ontario Institute for Cancer Research (OICR) (CA) 2023-11-22 — — EP claimed
WO-2022147622-A1 ISOINDOLINONE AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF NUAK KINASES, COMPOSITIONS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-07-14 — — WO 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 EGFR 1022/4885ALK 430/4885INSR 1031/4885

“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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