SCHEMBL21624518

SCHEMBL21624518

O=C(c1cccc([N+](=O)[O-])c1)c1c[nH]c2ncc(Br)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
TDP1 Q9NUW8 1/20 0.49
XDH P47989 1/20 0.48
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 4/20 0.46
MAPT P10636 2/20 0.46
THRB P10828 2/20 0.46
HPGD P15428 1/20 0.46
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
RIPK1 Q13546 1/20 0.43
TP53 P04637 1/20 0.43
BRAF P15056 1/20 0.43
AAK1 Q2M2I8 1/20 0.42
TSHR P16473 2/20 0.42
NPC1 O15118 1/20 0.42
MAPK9 P45984 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PLK4 O00444 1/20 0.41

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
SCHEMBL299080 0.87 XDH (0.48) KMT2AXDHALDH1A1MEN1CES2
SCHEMBL298453 0.84 AAK1 (0.49) KMT2AXDHALDH1A1MEN1MAPT
SCHEMBL298527 0.83 MET (0.56) KMT2ATDP1XDHALDH1A1MEN1
SCHEMBL856914 0.82 BRAF (0.46) BRAFAAK1NPC1RAB9APLK4
SCHEMBL856377 0.82 RIPK1 (0.51) KMT2ATDP1XDHMEN1MAPT
SCHEMBL1363568 0.82 AAK1 (0.58) MAPTBRAFAAK1MAPK9PLK4
SCHEMBL3506984 0.81 AXL (0.50) BRAFAAK1MAPK9PLK4AURKA
SCHEMBL4570634 0.81 AAK1 (0.47) KMT2AALDH1A1HPGDBRAFAAK1
SCHEMBL297306 0.81 BRAF (0.45) BRAFAAK1NPC1MAPK9PLK4
SCHEMBL858197 0.81 BRAF (0.53) BRAFAAK1PLK4AURKAJAK2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112424201-B Protein kinase inhibitors that promote liver regeneration or reduce or prevent hepatocyte death 海帕瑞吉尼克斯股份有限公司 2024-04-02 CN disclosed
US-11912701-B2 Protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death HEPAREGENIX GMBH (DE) 2024-02-27 US disclosed
US-20220281864-A1 PROTEIN KINASE INHIBITORS FOR PROMOTING LIVER REGENERATION OR REDUCING OR PREVENTING HEPATOCYTE DEATH HEPAREGENIX GMBH (DE) 2022-09-08 US disclosed
EP-3823968-A1 PROTEIN KINASE INHIBITORS FOR PROMOTING LIVER REGENERATION OR REDUCING OR PREVENTING HEPATOCYTE DEATH HepaRegeniX GmbH (DE) 2021-05-26 EP disclosed
WO-2020016243-A1 PROTEIN KINASE INHIBITORS FOR PROMOTING LIVER REGENERATION OR REDUCING OR PREVENTING HEPATOCYTE DEATH HEPAREGENIX GMBH (DE) 2020-01-23 WO 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 (2 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-11912701-B2 Protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death MAPK4, MAPK7, MAPK14 KMT2A 2228/4885TDP1 4045/4885XDH 418/4885
US-20220281864-A1 PROTEIN KINASE INHIBITORS FOR PROMOTING LIVER REGENERATION OR REDUCING OR PREVENTING HEPATOCYTE DEATH MAPK4, MAPK7, MAPK14 KMT2A 2262/4885TDP1 4090/4885XDH 431/4885

“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.