SCHEMBL22487919

SCHEMBL22487919

CC(C)(C)c1nc2c(=O)n(-c3ccncc3)cnc2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 7/20 0.35
PDE2A O00408 1/20 0.34
BRAF P15056 2/20 0.33
XDH P47989 3/20 0.32
CYP17A1 P05093 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CNOT7 Q9UIV1 1/20 0.31
GRM5 P41594 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
HCAR1 Q9BXC0 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
SCHEMBL22487747 0.88 XDH (0.42) GRM1XDHKDM4EALDH1A1HPGD
SCHEMBL22487927 0.79 GSK3B (0.41) GRM1PDE2AXDHCYP17A1NPSR1
SCHEMBL22488037 0.76 HPGD (0.39) GRM1XDHKDM4EALDH1A1HPGD
SCHEMBL5432319 0.71 GRM1 (0.42) GRM1PDE2AGRM5
SCHEMBL5437218 0.66 MEN1 (0.46) GRM1XDHGRM5KDM4EHCAR1
SCHEMBL5429761 0.65 POLB (0.47) GRM1PDE2AXDHGRM5ALDH1A1
SCHEMBL14336690 0.64 CCR1 (0.35) BRAF
SCHEMBL22487750 0.63 HPGD (0.42) XDHKDM4EALDH1A1HPGDHTT
SCHEMBL11922119 0.62 L3MBTL1 (0.35)
SCHEMBL11005247 0.60 BRAF (0.41) BRAFNPSR1HPGDHTT

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-20200308165-A1 Compounds as Ras Inhibitors and Use Thereof D. E. SHAW RESEARCH, LLC 2020-10-01 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-20200308165-A1 Compounds as Ras Inhibitors and Use Thereof KRAS, NRAS, HRAS GRM1 4660/4885PDE2A 1853/4885BRAF 6/4885

“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.