SCHEMBL21982932

SCHEMBL21982932

CC(C)(C)c1cc(Cl)cc2nc[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
PDPK1 O15530 1/20 0.35
PARP1 P09874 1/20 0.34
MAPT P10636 1/20 0.33
CSNK2A1 P68400 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
RXFP1 Q9HBX9 1/20 0.30
XDH P47989 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2C P18825 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30

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
SCHEMBL25822673 0.76 HSPA5 (0.40) PDPK1LMNAHTT
SCHEMBL29260807 0.76 ALDH1A1 (0.41) ALDH1A1PARP1MAPTCSNK2A1HTT
SCHEMBL29260806 0.76 ALDH1A1 (0.41) ALDH1A1PARP1MAPTCSNK2A1HTT
SCHEMBL20471835 0.75 ALDH1A1 (0.43) ALDH1A1PARP1MAPTCSNK2A1RXFP1
SCHEMBL23227827 0.72 MAPT (0.47) ALDH1A1PARP1MAPTCSNK2A1RXFP1
SCHEMBL5356864 0.72 MAPT (0.44) ALDH1A1PDPK1PARP1MAPTCSNK2A1
SCHEMBL15828639 0.71 MAPT (0.36) ALDH1A1PDPK1PARP1MAPTCSNK2A1
SCHEMBL17030761 0.71 NOS1 (0.42) MAPT
SCHEMBL21982936 0.71
SCHEMBL24104378 0.70 KDM4A (0.33) PDPK1

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-10647703-B2 Inhibitors of KRAS G12C mutant proteins ARAXES PHARMA LLC (US) 2020-05-12 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-10647703-B2 Inhibitors of KRAS G12C mutant proteins KRAS, NRAS, G3BP1 ALDH1A1 3935/4885PDPK1 1248/4885PARP1 2507/4885

“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.