SCHEMBL31107378

SCHEMBL31107378

COc1ccc(-c2cnc3[nH]ccc3c2)cc1OC

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.74
MAP3K11 Q16584 2/20 0.63
PDGFRB P09619 2/20 0.60
PDGFRA P16234 2/20 0.60
DYRK1A Q13627 3/20 0.59
KIT P10721 1/20 0.59
RIPK1 Q13546 3/20 0.57
CDK8 P49336 4/20 0.56
TNIK Q9UKE5 3/20 0.56
AXL P30530 2/20 0.56
PIK3CD O00329 1/20 0.55
PIK3CA P42336 1/20 0.55
PIK3CB P42338 1/20 0.55
PIK3CG P48736 1/20 0.55
PLK4 O00444 2/20 0.55
ROCK2 O75116 2/20 0.55
PRKD3 O94806 2/20 0.55
MAP4K4 O95819 2/20 0.55
INSR P06213 2/20 0.55
CDK1 P06493 2/20 0.55

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
SCHEMBL858100 1.00 BRD4 (0.74) BRD4MAP3K11PDGFRBPDGFRADYRK1A
SCHEMBL30173311 0.87 BRD4 (0.65) BRD4MAP3K11PDGFRBPDGFRADYRK1A
SCHEMBL720887 0.85 BRD4 (1.00) BRD4MAP3K11KITRIPK1CDK8
SCHEMBL182642 0.85 PIK3CA (0.69) BRD4MAP3K11PDGFRBPDGFRADYRK1A
SCHEMBL14620778 0.83 BRD4 (0.63) BRD4MAP3K11PDGFRBPDGFRADYRK1A
SCHEMBL12127570 0.82 BRD4 (0.65) BRD4PDGFRBPDGFRADYRK1ARIPK1
SCHEMBL414175 0.81 BRD4 (0.63) BRD4MAP3K11PDGFRBPDGFRADYRK1A
SCHEMBL4831501 0.80 CDK8 (0.81) BRD4PDGFRBPDGFRADYRK1ARIPK1
SCHEMBL415161 0.80 BRD4 (0.67) BRD4PDGFRBPDGFRADYRK1ARIPK1
SCHEMBL28504554 0.79 BRD4 (0.58) BRD4MAP3K11DYRK1ARIPK1CDK8

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 BRD4 347/4885MAP3K11 89/4885PDGFRB 590/4885

“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.