SCHEMBL2074527

SCHEMBL2074527

COc1cc(-c2cn(C3CCCC3)c3ncnc(Cl)c23)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 11/20 0.50
EGFR P00533 6/20 0.50
KDR P35968 3/20 0.50
PIK3CD O00329 1/20 0.50
PIK3CA P42336 1/20 0.50
PIK3CG P48736 1/20 0.50
BACE1 P56817 1/20 0.50
PRKDC P78527 1/20 0.50
PI4KB Q9UBF8 1/20 0.50
PTK6 Q13882 5/20 0.49
SRC P12931 9/20 0.48
RET P07949 2/20 0.46
KIF5B P33176 2/20 0.46
KCNH2 Q12809 1/20 0.46
CCDC6 Q16204 1/20 0.46
FYN P06241 1/20 0.46
ABL2 P42684 4/20 0.45
RIPK2 O43353 1/20 0.45
TEK Q02763 3/20 0.44
LCK P06239 1/20 0.44

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
SCHEMBL6867323 0.93 ABL1 (0.48) ABL1EGFRKDRPIK3CDPIK3CA
SCHEMBL6867388 0.89 ABL1 (0.45) ABL1EGFRKDRPIK3CDPIK3CA
SCHEMBL2074968 0.89 SRC (0.48) ABL1EGFRKDRSRCRET
SCHEMBL7006035 0.85 SRC (0.49) ABL1EGFRKDRSRCRET
SCHEMBL2071828 0.84 FLT3 (0.46) ABL1EGFRKDRSRCRET
SCHEMBL22418417 0.82 NEK7 (0.51) EGFRKDRPTK6SRCRET
SCHEMBL6867277 0.81 EIF2AK3 (0.47) KDRSRCRETKIF5BKCNH2
SCHEMBL6865329 0.81 RET (0.43) ABL1EGFRKDRSRCRET
SCHEMBL6872025 0.80 NEK7 (0.49) KDRRETKIF5BKCNH2CCDC6
SCHEMBL6866872 0.80 ABL1 (0.54) ABL1EGFRKDRPIK3CDPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863444-B2 4-aminopyrrolopyrimidines as kinase inhibitors ABBOTT LABORATORIES (US) 2011-01-04 US disclosed
EP-1114052-B1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS ABBOTT GMBH & CO KG (DE) 2005-11-16 EP disclosed
US-20030187001-A1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2003-10-02 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-20030187001-A1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS LCK, PPP5C, DUSP1 ABL1 189/4885EGFR 294/4885KDR 140/4885

“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.