SCHEMBL6311558

SCHEMBL6311558

CC1(C)CNc2cc(-c3cnc(N)nc3Nc3ccc4ncccc4c3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.41
ERBB2 P04626 2/20 0.41
ERBB4 Q15303 2/20 0.41
LCK P06239 2/20 0.41
KIT P10721 2/20 0.41
KDR P35968 2/20 0.41
SRC P12931 1/20 0.41
GRM4 Q14833 1/20 0.40
IGF1R P08069 1/20 0.39
JAK2 O60674 1/20 0.39
PIK3CA P42336 3/20 0.38
MTOR P42345 1/20 0.38
SYK P43405 2/20 0.37
STK10 O94804 2/20 0.37
SLK Q9H2G2 2/20 0.37
CIT O14578 1/20 0.37
MAP3K7 O43318 1/20 0.37
RIPK2 O43353 1/20 0.37
MAP4K4 O95819 1/20 0.37
ABL1 P00519 1/20 0.37

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
SCHEMBL6312048 0.90 PIK3CA (0.40) EGFRLCKKITKDRSRC
SCHEMBL6312279 0.78 EGFR (0.39) EGFRERBB2ERBB4GRM4PIK3CA
SCHEMBL6313090 0.75 CA12 (0.48) EGFRERBB2ERBB4KDRGRM4
SCHEMBL6319179 0.74 ADORA2A (0.46) EGFRGRM4SYKABCG2KDM4E
SCHEMBL6313338 0.74 EGFR (0.45) EGFRERBB2ERBB4KDRGRM4
SCHEMBL4399087 0.74 LCK (0.45) EGFRLCKKDRSRCPIK3CA
SCHEMBL6313725 0.73 ROCK1 (0.46) EGFRGRM4PIK3CAMTORSYK
SCHEMBL6319566 0.72 MAP4K4 (0.44) EGFRERBB2ERBB4GRM4PIK3CA
SCHEMBL6313077 0.70 PIK3CA (0.47) EGFRGRM4IGF1RJAK2PIK3CA
SCHEMBL6318862 0.68 DHFR (0.56) LCKKDRGRM4IGF1RPIK3CA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 US disclosed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 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-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use DPYD, TYMP, TPMT EGFR 1302/4885ERBB2 1276/4885ERBB4 1228/4885

“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.