SCHEMBL25311404

SCHEMBL25311404

O=C(c1ccnc(Nc2ccccc2)n1)N1CC2CNCC2C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 12/20 0.58
CHRNB2 P17787 9/20 0.58
CHRNB4 P30926 9/20 0.58
CHRNA3 P32297 9/20 0.58
CHRNA7 P36544 9/20 0.58
AURKA O14965 3/20 0.45
AURKB Q96GD4 1/20 0.45
CHEK1 O14757 1/20 0.45
IKBKB O14920 1/20 0.45
NPC1 O15118 1/20 0.45
PDPK1 O15530 1/20 0.45
CHEK2 O96017 1/20 0.45
PRKCG P05129 1/20 0.45
CDK1 P06493 1/20 0.45
LYN P07948 1/20 0.45
MAPT P10636 1/20 0.45
KIT P10721 1/20 0.45
PIM1 P11309 1/20 0.45
FGFR1 P11362 1/20 0.45
FGFR3 P22607 1/20 0.45

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
SCHEMBL29484579 1.00 CHRNA4 (0.58) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL29466341 0.92 GSK3A (0.47) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL25878075 0.92 GSK3A (0.47) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL25313124 0.88 GSK3A (0.45) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL25882455 0.86 HRH4 (0.50) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL25878312 0.84 AURKA (0.49) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL29466335 0.82 GSK3A (0.50) AURKAAURKBCHEK1IKBKBNPC1
SCHEMBL25882561 0.82 GSK3A (0.50) AURKAAURKBCHEK1IKBKBNPC1
SCHEMBL29466410 0.82 MKNK1 (0.55) AURKAAURKBCHEK1IKBKBNPC1
SCHEMBL25311322 0.82 MKNK1 (0.55) AURKAAURKBCHEK1IKBKBNPC1

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-20240101552-A1 CARBONYL HETEROCYCLIC COMPOUND AND APPLICATION THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2024-03-28 US disclosed
EP-4215526-A1 CARBONYL HETEROCYCLIC COMPOUND AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-07-26 EP disclosed
EP-4215526-A1 CARBONYL HETEROCYCLIC COMPOUND AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-07-26 EP 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-20240101552-A1 CARBONYL HETEROCYCLIC COMPOUND AND APPLICATION THEREOF LANCL2, CBS, LCP2 CHRNA4 4869/4885CHRNB2 4567/4885CHRNB4 4854/4885

“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.