SCHEMBL22044552

SCHEMBL22044552

CN1CCN(C(=O)c2c[nH]c(-c3n[nH]c4ncccc34)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.52
HRH4 Q9H3N8 2/20 0.49
HRH3 Q9Y5N1 1/20 0.49
KDR P35968 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
MAPK10 P53779 1/20 0.43
KDM4E B2RXH2 1/20 0.43
FLT3 P36888 1/20 0.43
ACHE P22303 1/20 0.42
PARP1 P09874 2/20 0.42
GRM4 Q14833 2/20 0.41
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
ROCK1 Q13464 1/20 0.39

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
SCHEMBL22043996 0.88 RIPK1 (0.51) RIPK1KDRL3MBTL1MAPK10FLT3
SCHEMBL5536781 0.81 CAMKK2 (0.47) KDRROCK1
SCHEMBL21802596 0.80 MAP2K1 (0.50) KDRL3MBTL1KDM4EHPGD
SCHEMBL5539335 0.79 CAMKK2 (0.48) RIPK1KDRROCK1
SCHEMBL5533791 0.76 KDM4E (0.46) L3MBTL1KDM4ECYP2C9CYP2C19HPGD
SCHEMBL5536725 0.76 CAMKK2 (0.41) RIPK1KDRROCK1
SCHEMBL5531182 0.75 MAPK7 (0.47) ROCK1
SCHEMBL5541202 0.75 CAMKK2 (0.39) RIPK1MAPK10KDM4EROCK1
SCHEMBL5538994 0.75 ROCK1 (0.47) KDRFLT3ROCK1
SCHEMBL5536002 0.75 HPGDS (0.51) ACHEPARP1CYP2D6CYP2C19HPGD

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-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 (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-20200172521-A1 Five-Membered-Fused-Six-Membered Aza-Aromatic Ring Compound, Preparation Method Thereof, Pharmaceutical Composition And Application Thereof KRAS, NRAS, RASSF5 RIPK1 1177/4885HRH4 1240/4885HRH3 2736/4885

“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.