SCHEMBL26089507

SCHEMBL26089507

Cc1ccc2nc(Nc3ccc4c(c3)CCC(=O)N4)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 9/20 0.50
▸ TNIK Q9UKE5 3/20 0.49
▸ PKM P14618 3/20 0.48
▸ CRBN Q96SW2 1/20 0.48
▸ ULK1 O75385 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MMP12 P39900 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MAP4K1 Q92918 1/20 0.41

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
SCHEMBL23674945 0.92 KIF11 (0.51) KIF11TNIKPKMCRBNULK1
SCHEMBL30100724 0.92 KIF11 (0.51) KIF11TNIKPKMCRBNULK1
SCHEMBL30100766 0.85 KIF11 (0.53) KIF11TNIKPKMCRBNULK1
SCHEMBL23674979 0.85 KIF11 (0.53) KIF11TNIKPKMCRBNULK1
SCHEMBL23674829 0.84 KIF11 (0.47) KIF11TNIKCRBNULK1MAPT
SCHEMBL26089273 0.81 KIF11 (0.53) KIF11TNIKPKMCRBNULK1
SCHEMBL26086593 0.78 KIF11 (0.48) KIF11TNIKPKMCRBNULK1
SCHEMBL30100780 0.78 KIF11 (0.48) KIF11TNIKPKMCRBNULK1
SCHEMBL29746163 0.78 MAPT (0.58) KIF11PKMALDH1A1NPC1MAPT
SCHEMBL26613480 0.78 MAPT (0.58) KIF11PKMALDH1A1NPC1MAPT

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-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2023-04-27 — — US disclosed
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2023-04-27 — — 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-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PAH, ALDH2, IDH2 KIF11 3560/4885TNIK 2690/4885PKM 157/4885

“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.

Send feedback