SCHEMBL31107374

SCHEMBL31107374

CC(=O)N1CCN(c2ccc(-c3ccnc4[nH]ccc34)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 5/20 0.54
CHUK O15111 5/20 0.54
FLT3 P36888 2/20 0.54
CDK1 P06493 1/20 0.54
CCNB1 P14635 1/20 0.54
CCNE1 P24864 1/20 0.54
CDK2 P24941 1/20 0.54
CIT O14578 10/20 0.53
ACVR1 Q04771 2/20 0.49
BMPR1B O00238 1/20 0.49
BMPR1A P36894 1/20 0.49
ACVRL1 P37023 1/20 0.49
NEK1 Q96PY6 1/20 0.49
AURKB Q96GD4 2/20 0.49
DAPK3 O43293 1/20 0.49
JAK2 O60674 1/20 0.49
PRKD3 O94806 1/20 0.49
MAP4K4 O95819 1/20 0.49
PAK4 O96013 1/20 0.49
CSF1R P07333 1/20 0.49

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
SCHEMBL28875172 0.84 ACVR1 (0.64) IKBKBCHUKFLT3CITACVR1
SCHEMBL31473469 0.84 ACVR1 (0.64) IKBKBCHUKFLT3CITACVR1
SCHEMBL30009207 0.83 JAK1 (0.53) IKBKBCHUKCITNEK1
SCHEMBL31473445 0.80 ROCK2 (0.65) IKBKBCHUKFLT3CITACVR1
SCHEMBL4830288 0.80 NEK1 (0.58) IKBKBCHUKCITACVR1BMPR1B
SCHEMBL1718719 0.78 FLT3 (0.51) FLT3CDK1CCNB1CCNE1CDK2
SCHEMBL858202 0.76 IKBKB (0.74) IKBKBCHUKCITACVR1NEK1
SCHEMBL857035 0.75 IKBKB (0.64) IKBKBCHUKCITACVR1NEK1
SCHEMBL14493856 0.75 FLT3 (0.53) FLT3CDK1CCNB1CCNE1CDK2
SCHEMBL4873430 0.74 IKBKB (0.60) IKBKBCHUKFLT3CITACVR1

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-20240294522-A1 3-SUBSTITUTED 1H-PYRROLO[2,3-B]PYRIDINE AS GRK5 MODULATORS LEAD DISCOVERY CENTER GMBH (DE) 2024-09-05 US claimed

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-20240294522-A1 3-SUBSTITUTED 1H-PYRROLO[2,3-B]PYRIDINE AS GRK5 MODULATORS GRK5, GRK3, GRK4 IKBKB 696/4885CHUK 406/4885FLT3 1157/4885

“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.