SCHEMBL1285347

SCHEMBL1285347

NC(=O)CC(n1ccc2cnc(Nc3cccc(N4CCCC4=O)c3)nc21)C1(C(=O)O)CCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 7/20 0.44
▸ GAA P10253 1/20 0.41
▸ CAMK1D Q8IU85 2/20 0.41
▸ AURKA O14965 5/20 0.40
▸ MAPK9 P45984 4/20 0.40
▸ MAPK8 P45983 3/20 0.40
▸ PRKD3 O94806 3/20 0.40
▸ MAP4K4 O95819 3/20 0.40
▸ CHEK2 O96017 3/20 0.40
▸ EGFR P00533 3/20 0.40
▸ ERBB2 P04626 3/20 0.40
▸ NTRK1 P04629 3/20 0.40
▸ INSR P06213 3/20 0.40
▸ LCK P06239 3/20 0.40
▸ FYN P06241 3/20 0.40
▸ LYN P07948 3/20 0.40
▸ RET P07949 3/20 0.40
▸ IGF1R P08069 3/20 0.40
▸ FGFR1 P11362 3/20 0.40
▸ SRC P12931 3/20 0.40

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
SCHEMBL1284917 0.91 MAPK8 (0.47) SYKMAPK9MAPK8EGFRNTRK1
SCHEMBL1284577 0.86 HDAC3 (0.47) SYKEGFRJAK3BLKCDK4
SCHEMBL1285558 0.84 CDK4 (0.45) SYKAURKAMAPK9MAPK8PRKD3
SCHEMBL1284750 0.84 MAP3K5 (0.46) AURKAEGFRSRCJAK3AURKB
SCHEMBL1284716 0.84 AURKA (0.38) SYKAURKAMAPK9MAPK8PRKD3
SCHEMBL1285070 0.83 CDK4 (0.45) SYKAURKAMAPK9MAPK8PRKD3
SCHEMBL1284997 0.82 TBK1 (0.47) SYKAURKAMAPK9PRKD3MAP4K4
SCHEMBL1285497 0.82 MAP3K5 (0.46) AURKAEGFRSRCJAK3AURKB
SCHEMBL1285268 0.82 AURKA (0.46) SYKAURKAMAPK9PRKD3MAP4K4
SCHEMBL1284926 0.82 CDK4 (0.40) AURKAEGFRFGFR1FLT4KDR

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-20120088753-A1 PYRROLOPYRIMIDINES AND USED AS KINASE INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2012-04-12 — — US claimed
US-20120088753-A1 PYRROLOPYRIMIDINES AND USED AS KINASE INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2012-04-12 — — US disclosed
EP-2403853-A1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS Medical Research Council Technology (GB) 2012-01-11 — — EP 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-20120088753-A1 PYRROLOPYRIMIDINES AND USED AS KINASE INHIBITORS MARK3, MAPK8, CDK8 SYK 230/4885GAA 4292/4885CAMK1D 846/4885

“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.

Send feedback