SCHEMBL22044587

SCHEMBL22044587

OC(Nc1ccccc1)c1cccc(-c2cnc3cnccn23)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 8/20 0.51
KIT P10721 6/20 0.51
ABL1 P00519 5/20 0.51
BCR P11274 5/20 0.51
KDR P35968 8/20 0.44
DDR2 Q16832 3/20 0.43
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA3 P34903 1/20 0.41
FGFR3 P22607 5/20 0.41
FYN P06241 1/20 0.40
CHEK1 O14757 1/20 0.39
GSK3B P49841 1/20 0.39
FLT3 P36888 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
SCHEMBL22044897 0.80 DDR1 (0.41) DDR1KITABL1BCRKDR
SCHEMBL111003 0.76 KDR (0.60) DDR1KITABL1BCRKDR
SCHEMBL22044025 0.76 DDR1 (0.74) DDR1KITABL1BCRKDR
SCHEMBL22044064 0.74 NPSR1 (0.40) DDR1KITABL1BCRKDR
SCHEMBL2663392 0.72 CHEK1 (0.50) DDR1KITABL1BCRKDR
SCHEMBL22044103 0.69 DDR1 (0.66) DDR1KITABL1BCRDDR2
SCHEMBL24576573 0.69 DYRK1A (0.58) GSK3B
SCHEMBL29775130 0.69 DYRK1A (0.58) GSK3B
SCHEMBL29775068 0.69 EGFR (0.56)
SCHEMBL24577018 0.69 EGFR (0.56)

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 DDR1 3947/4885KIT 287/4885ABL1 297/4885

“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.