SCHEMBL6313338

SCHEMBL6313338

C#Cc1cccc(-c2cnc(N)nc2Nc2ccc3ncccc3c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.45
GRM4 Q14833 1/20 0.41
SYK P43405 3/20 0.40
ABCG2 Q9UNQ0 2/20 0.40
KDR P35968 1/20 0.40
ABCB1 P08183 1/20 0.39
ABCC1 P33527 1/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PIK3CA P42336 2/20 0.38

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
SCHEMBL6319179 0.90 ADORA2A (0.46) EGFRGRM4SYKABCG2MAPT
SCHEMBL6313300 0.88 ABCG2 (0.46) EGFRGRM4SYKABCG2KDR
SCHEMBL6313725 0.81 ROCK1 (0.46) EGFRGRM4SYKABCG2ABCB1
SCHEMBL4882881 0.81 EGFR (0.41) EGFRSYKABCG2KDRMAPT
SCHEMBL6319566 0.79 MAP4K4 (0.44) EGFRGRM4SYKABCG2ABCB1
SCHEMBL28096054 0.77 NPC1 (0.49) EGFRGRM4ABCG2KDRABCB1
SCHEMBL6313090 0.76 CA12 (0.48) EGFRGRM4KDRMAPTKDM4E
SCHEMBL6311558 0.74 EGFR (0.41) EGFRGRM4SYKABCG2KDR
SCHEMBL4611264 0.72 DHFR (0.61) ADORA2A
SCHEMBL6313077 0.71 PIK3CA (0.47) EGFRGRM4SYKPIK3CAMTOR

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 claimed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 US claimed

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 1302/4885GRM4 3124/4885SYK 928/4885

“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.