SCHEMBL24620370

SCHEMBL24620370

O=C1NCc2cccc(Nc3nc(Nc4ccc(N5CCNCC5)cc4OC(F)F)ncc3C(F)(F)F)c21

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 14/20 0.61
▸ EGFR P00533 3/20 0.58
▸ MAPK3 P27361 1/20 0.55
▸ ULK1 O75385 1/20 0.51
▸ PTK2 Q05397 1/20 0.48

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
SCHEMBL30833050 1.00 ALK (0.61) ALKEGFRMAPK3ULK1PTK2
SCHEMBL24620195 0.97 ALK (0.58) ALKEGFRMAPK3ULK1PTK2
SCHEMBL29791388 0.97 ALK (0.58) ALKEGFRMAPK3ULK1PTK2
SCHEMBL29791454 0.93 ALK (0.55) ALKEGFRMAPK3ULK1
SCHEMBL24620475 0.93 ALK (0.55) ALKEGFRMAPK3ULK1
SCHEMBL24620355 0.93 ALK (0.56) ALKEGFRMAPK3ULK1PTK2
SCHEMBL30833031 0.93 ALK (0.56) ALKEGFRMAPK3ULK1PTK2
SCHEMBL24620233 0.93 ALK (0.64) ALKEGFRULK1PTK2
SCHEMBL30833032 0.93 ALK (0.64) ALKEGFRULK1PTK2
SCHEMBL24620357 0.92 EGFR (0.63) ALKEGFRULK1PTK2

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 3 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
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 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 ALK 430/4885EGFR 1022/4885MAPK3 387/4885

“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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