SCHEMBL26445035

SCHEMBL26445035

CCc1cnccc1C(=O)Nc1cc2c(cc1F)NC(=O)C(C)(C)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT1 P17948 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ PIM2 Q9P1W9 2/20 0.34
▸ PIM3 Q86V86 1/20 0.34
▸ GSK3B P49841 2/20 0.34
▸ CALCRL Q16602 1/20 0.34
▸ MAP2K2 P36507 1/20 0.33
▸ MAP2K1 Q02750 1/20 0.33
▸ PRKCZ Q05513 1/20 0.33
▸ IARS2 Q9NSE4 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ ABCB1 P08183 3/20 0.32
▸ ABCC1 P33527 1/20 0.32
▸ PRMT3 O60678 1/20 0.32
▸ NUDT1 P36639 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ LMNA P02545 2/20 0.31

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
SCHEMBL23675059 0.86 ABCB1 (0.42) GSK3BALDH1A1ABCB1ABCC1LMNA
SCHEMBL30100739 0.86 ABCB1 (0.42) GSK3BALDH1A1ABCB1ABCC1LMNA
SCHEMBL30100745 0.84 CYP11B1 (0.42) FLT1KDRPIM2PIM3
SCHEMBL21686832 0.84 CYP11B1 (0.42) FLT1KDRPIM2PIM3
SCHEMBL31341395 0.84 CYP11B1 (0.42) FLT1KDRPIM2PIM3
SCHEMBL26089057 0.83 KDR (0.37) FLT1KDRL3MBTL1LMNA
SCHEMBL26441583 0.83 TNKS (0.42) FLT1KDRPIM2PIM3GSK3B
SCHEMBL23675014 0.81 MAP2K1 (0.40) MAP2K1ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL26086681 0.79 CALCRL (0.35) KDRGSK3BCALCRLALDH1A1MAPT
SCHEMBL23674950 0.78 NPC1 (0.32) CALCRLALDH1A1MAPT

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-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 FLT1 277/4885KDR 51/4885PIM2 408/4885

“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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