SCHEMBL29437830

SCHEMBL29437830

O=c1[nH]c2ccc(-c3cnc(Nc4ccccc4Cl)nc3)cc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 2/20 0.55
▸ AURKA O14965 2/20 0.55
▸ GRIA1 P42261 9/20 0.51
▸ CACNG8 Q8WXS5 9/20 0.51
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HDAC3 O15379 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ CDK2 P24941 2/20 0.44
▸ KDR P35968 2/20 0.44
▸ PLK4 O00444 1/20 0.44
▸ CHEK1 O14757 1/20 0.44
▸ PRKD3 O94806 1/20 0.44
▸ MAP4K4 O95819 1/20 0.44
▸ CDK1 P06493 1/20 0.44
▸ LYN P07948 1/20 0.44
▸ RET P07949 1/20 0.44

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
SCHEMBL22190872 1.00 AURKB (0.55) AURKBAURKAGRIA1CACNG8ALDH1A1
SCHEMBL22190930 0.85 AURKB (0.44) AURKBAURKAGRIA1CACNG8ALDH1A1
SCHEMBL22191136 0.82 MAPT (0.51) AURKBAURKAGRIA1CACNG8ALDH1A1
SCHEMBL22191685 0.82 RET (0.51) AURKBAURKAGRIA1CACNG8ALDH1A1
SCHEMBL22190817 0.81 GAA (0.54) AURKBGRIA1CACNG8ALDH1A1MAPT
SCHEMBL22190814 0.80 GRIA1 (0.48) AURKBAURKAGRIA1CACNG8ALDH1A1
SCHEMBL22191468 0.79 HDAC3 (0.49) AURKBAURKAGRIA1CACNG8MAPT
SCHEMBL22191095 0.75 PLK4 (0.50) AURKBGRIA1CACNG8MAPTHDAC3
SCHEMBL22191365 0.75 GRM5 (0.45) AURKBAURKAGRIA1CACNG8CDK2
SCHEMBL22190851 0.74 MAPT (0.48) AURKAGRIA1CACNG8ALDH1A1MAPT

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-20220064146-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-03-03 — — 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-20220064146-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE CSNK1A1, MAP3K20, CSNK1G3 AURKB 445/4885AURKA 541/4885GRIA1 834/4885

“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