SCHEMBL5010848

SCHEMBL5010848

c1ccc(Nc2ncc3cc4ccccc4cc3n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 4/20 0.50
CDK1 P06493 3/20 0.50
GSK3B P49841 3/20 0.50
IGF1R P08069 2/20 0.50
JAK2 O60674 2/20 0.50
CDK5 Q00535 2/20 0.50
AURKA O14965 2/20 0.50
PDPK1 O15530 2/20 0.50
LYN P07948 2/20 0.50
FGFR1 P11362 2/20 0.50
FGFR3 P22607 2/20 0.50
RPS6KB1 P23443 2/20 0.50
MARK3 P27448 2/20 0.50
BLK P51451 2/20 0.50
RPS6KA3 P51812 2/20 0.50
ERBB4 Q15303 2/20 0.50
MARK2 Q7KZI7 2/20 0.50
PLK3 Q9H4B4 2/20 0.50
GSK3A P49840 2/20 0.50
KDR P35968 2/20 0.50

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
SCHEMBL167891 0.84 MAP3K5 (0.60) CDK2CDK1GSK3BIGF1RJAK2
SCHEMBL31381352 0.84 MAP3K5 (0.60) CDK2CDK1GSK3BIGF1RJAK2
SCHEMBL27770482 0.84 MAP3K5 (0.60) CDK2CDK1GSK3BIGF1RJAK2
Benzene SCHEMBL28188863 0.84 MAP3K5 (0.60) CDK2CDK1GSK3BIGF1RJAK2
Hydrochloric Acid SCHEMBL8807679 0.82 MAP3K5 (0.58) CDK2CDK1GSK3BIGF1RJAK2
SCHEMBL4573935 0.82 MAP3K5 (0.58) CDK2CDK1GSK3BIGF1RJAK2
SCHEMBL7757002 0.80 PDGFRB (0.59) CDK2CDK1AURKAKDRLCK
SCHEMBL25053109 0.79 CDK4 (0.52) CDK2CDK1GSK3BIGF1RJAK2
SCHEMBL14724701 0.79 CDK1 (0.52) CDK2CDK1GSK3BIGF1RJAK2
SCHEMBL24151364 0.79 ADRB2 (0.55) CDK2CDK1GSK3BIGF1RJAK2

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-20080171874-A1 METHOD FOR THE REGIOSELECTIVE PREPARATION OF SUBSTITUTED BENZO[G]QUINOLINE-3-CARBONITRILES AND BENZO[G]QUINAZOLINES WYETH (US) 2008-07-17 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-20080171874-A1 METHOD FOR THE REGIOSELECTIVE PREPARATION OF SUBSTITUTED BENZO[G]QUINOLINE-3-CARBONITRILES AND BENZO[G]QUINAZOLINES PDXK, PKD1, GLS CDK2 304/4885CDK1 324/4885GSK3B 2064/4885

“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.