SCHEMBL6259495

SCHEMBL6259495

CC(Nc1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c12)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 1.00
AURKA O14965 4/20 0.71
CHEK1 O14757 2/20 0.58
MAP2K1 Q02750 1/20 0.58
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
TNK2 Q07912 2/20 0.56
JAK2 O60674 1/20 0.56
LCK P06239 1/20 0.56
SRC P12931 1/20 0.56
KDR P35968 1/20 0.56
ZAP70 P43403 1/20 0.56
JAK3 P52333 1/20 0.56
RAD52 P43351 1/20 0.56

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
SCHEMBL13331409 0.84 EGFR (0.84) EGFRAURKA
SCHEMBL13331179 0.84 EGFR (0.79) EGFRAURKACHEK1MAP2K1KMT2A
SCHEMBL13331172 0.84 EGFR (0.79) EGFRAURKACHEK1MAP2K1KMT2A
SCHEMBL13331144 0.82 EGFR (1.00) EGFRAURKA
SCHEMBL13331166 0.82 EGFR (0.80) EGFRAURKACHEK1MAP2K1
SCHEMBL3318726 0.82 EGFR (1.00) EGFRAURKA
SCHEMBL2249401 0.81 AURKA (0.83) EGFRAURKACHEK1MAP2K1KMT2A
SCHEMBL13331411 0.81 EGFR (1.00) EGFR
SCHEMBL13331165 0.81 EGFR (1.00) EGFRAURKACHEK1MAP2K1
SCHEMBL13331167 0.80 EGFR (0.77) EGFRAURKACHEK1MAP2K1TNK2

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-20050187389-A1 Pyrrolopyrimidine derivatives and analogs and their use in the treatment and prevention of diseases AMBIT BIOSCIENCES CORPORATION 2005-08-25 US disclosed
WO-2005067546-A2 PYRROLOPYRIMIDINE DERIVATIVES AND ANALOGS AND THEIR USE IN THE TREATMENT AND PREVENTION OF DISEASES AMBIT BIOSCIENCES CORPORATION (US) 2005-07-28 WO disclosed
US-20050153989-A1 Pyrrolopyrimidine derivatives and analogs and their use in the treatment and prevention of diseases AMBIT BIOSCIENCES CORPORATION 2005-07-14 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 (2 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-20050187389-A1 Pyrrolopyrimidine derivatives and analogs and their use in the treatment and prevention of diseases PRKDC, PRKCA, PRKACA EGFR 3080/4885AURKA 1416/4885CHEK1 210/4885
US-20050153989-A1 Pyrrolopyrimidine derivatives and analogs and their use in the treatment and prevention of diseases PRKDC, PRKCA, PRKACA EGFR 3080/4885AURKA 1416/4885CHEK1 210/4885

“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.