SCHEMBL25735189

SCHEMBL25735189

O=C(NCCCCCCC1CCN(C(=O)c2ccc[nH]2)C1)Nc1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 4/20 0.44
▸ NFE2L2 Q16236 4/20 0.44
▸ BTK Q06187 1/20 0.44
▸ NAMPT P43490 12/20 0.44
▸ CDK2 P24941 1/20 0.39
▸ FLT4 P35916 1/20 0.39
▸ CCR3 P51677 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39

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
SCHEMBL25735219 1.00 KEAP1 (0.44) KEAP1NFE2L2BTKNAMPTCDK2
SCHEMBL25735158 1.00 KEAP1 (0.44) KEAP1NFE2L2BTKNAMPTCDK2
SCHEMBL25735197 0.90 CDK2 (0.54) KEAP1NFE2L2BTKNAMPTCDK2
SCHEMBL25735200 0.88 CCR3 (0.41) BTKNAMPTCCR3
SCHEMBL25735150 0.88 CCR3 (0.41) BTKNAMPTCCR3
SCHEMBL25735208 0.86 NAMPT (0.42) BTKNAMPTCCR3
SCHEMBL25735177 0.86 NAMPT (0.42) BTKNAMPTCCR3
SCHEMBL25221361 0.86 NAMPT (0.40) BTKNAMPTCYP3A4CYP2C9
SCHEMBL25225074 0.86 NAMPT (0.40) BTKNAMPTCYP3A4CYP2C9
SCHEMBL25735182 0.86 NAMPT (0.56) KEAP1NFE2L2BTKNAMPTCCR3

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-20230192651-A1 Pyrrolidine Derivative and Use Thereof WANG, ZHEMING (CN) 2023-06-22 — — US disclosed
US-20230192651-A1 Pyrrolidine Derivative and Use Thereof WANG, ZHEMING (CN) 2023-06-22 — — 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-20230192651-A1 Pyrrolidine Derivative and Use Thereof NAMPT, NAPRT, NNMT KEAP1 2515/4885NFE2L2 3310/4885BTK 1812/4885

“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