SCHEMBL25631498

SCHEMBL25631498

Cc1cnc(N[C@@H]2C[C@H]3CNC[C@H]3C2)cn1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 1/20 0.43
▸ CRBN Q96SW2 1/20 0.43
▸ KDM1A O60341 1/20 0.39
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ BRD4 O60885 2/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ PCSK9 Q8NBP7 1/20 0.33
▸ CCNK O75909 1/20 0.33
▸ CDK12 Q9NYV4 1/20 0.33
▸ SSTR4 P31391 1/20 0.33
▸ CHRNB2 P17787 5/20 0.33
▸ CHRNA4 P43681 5/20 0.33
▸ CHRNA7 P36544 2/20 0.33
▸ CHRNB4 P30926 3/20 0.32
▸ CHRNA3 P32297 3/20 0.32
▸ FLT3 P36888 3/20 0.32

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
SCHEMBL20936923 0.82 JAK2 (0.35) KDM1AJAK2JAK1HRH3PCSK9
SCHEMBL25631508 0.81 KDM1A (0.45) KDM1AJAK2JAK1CCNKCDK12
SCHEMBL22895365 0.77 HRH3 (0.47) DDB1CRBNBRD4HRH3FLT3
SCHEMBL2369405 0.76 DDB1 (0.51) DDB1CRBNBRD4CCNKCDK12
SCHEMBL25625879 0.75 MAPK1 (0.51) KDM1AJAK2JAK1PCSK9CCNK
SCHEMBL24608239 0.74 HCAR3 (0.36) KDM1AJAK2JAK1HRH3CHRNB2
SCHEMBL20936867 0.74 HCAR3 (0.36) KDM1AJAK2JAK1HRH3CHRNB2
SCHEMBL22877015 0.73 KDM4E (0.50) DDB1CRBN
SCHEMBL23545099 0.71 CHRM2 (0.44) JAK2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL25632613 0.71 CHRM2 (0.44) JAK2CHRNB2CHRNA4CHRNB4CHRNA3

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-20230183218-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2023-06-15 — — 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-20230183218-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM3, CHRM2, CHRM4 DDB1 3899/4885CRBN 3851/4885KDM1A 2507/4885

“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