SCHEMBL22044009

SCHEMBL22044009

Cc1cccc(CNC(=O)c2c[nH]c(-c3n[nH]c4ncccc34)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.47
ROCK2 O75116 2/20 0.44
CDC7 O00311 1/20 0.44
PIM1 P11309 1/20 0.44
PRKACA P17612 1/20 0.44
CDK2 P24941 1/20 0.44
GSK3B P49841 1/20 0.44
HIPK2 Q9H2X6 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
HTT P42858 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 2/20 0.43
MAPK3 P27361 2/20 0.41
MAPK1 P28482 2/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL22044000 0.90 HPGD (0.47) MMP13HTTALDH1A1HPGDLMNA
SCHEMBL5537482 0.89 ADORA2A (0.52) ROCK2CDC7PRKACAGSK3BCLK4
SCHEMBL22044554 0.88 MAPK1 (0.55) ROCK2LMNAMAPK3MAPK1NPC1
SCHEMBL22044872 0.88 NAMPT (0.44) ROCK2HTTALDH1A1HPGDMAPK3
SCHEMBL22044085 0.88 ROCK2 (0.47) ROCK2CDC7CDK2HTTMAPK3
SCHEMBL22044073 0.88 POLB (0.47) HTTRXFP1ALDH1A1HPGDLMNA
SCHEMBL22044478 0.88 MMP13 (0.53) MMP13ROCK2PRKACAGSK3BCLK4
SCHEMBL22044851 0.86 MEN1 (0.52) ROCK2CDC7PIM1PRKACACDK2
SCHEMBL22044474 0.86 ROCK2 (0.49) ROCK2MAPK3MAPK1
SCHEMBL22044004 0.85 ADORA2A (0.43) ROCK2HTTALDH1A1HPGDMAPK3

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-20210228552-A1 METHOD FOR ADJUSTING RAS UBIQUITINATION XIAMEN UNIVERSITY (CN) 2021-07-29 US disclosed
EP-3786304-A1 METHOD FOR ADJUSTING RAS UBIQUITINATION Xiamen University (CN) 2021-03-03 EP disclosed
US-20200172521-A1 Five-Membered-Fused-Six-Membered Aza-Aromatic Ring Compound, Preparation Method Thereof, Pharmaceutical Composition And Application Thereof Amcure Biosciences Pte. Ltd. (SG) 2020-06-04 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 (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-20210228552-A1 METHOD FOR ADJUSTING RAS UBIQUITINATION NEDD4, KRAS, UBE3A MMP13 4486/4885ROCK2 1663/4885CDC7 531/4885
US-20200172521-A1 Five-Membered-Fused-Six-Membered Aza-Aromatic Ring Compound, Preparation Method Thereof, Pharmaceutical Composition And Application Thereof KRAS, NRAS, RASSF5 MMP13 2778/4885ROCK2 1660/4885CDC7 786/4885

“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.