SCHEMBL1284433

SCHEMBL1284433

CCOC=Cc1cnc(Cl)nc1NCCCNC(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.46
STK17A Q9UEE5 1/20 0.46
BRD4 O60885 3/20 0.44
HTT P42858 1/20 0.43
TGM2 P21980 1/20 0.42
KEAP1 Q14145 2/20 0.41
NFE2L2 Q16236 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FAAH O00519 1/20 0.39
SIRT5 Q9NXA8 3/20 0.39
ANPEP P15144 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 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
SCHEMBL1284430 1.00 STK17B (0.46) STK17BSTK17ABRD4HTTTGM2
SCHEMBL1284434 0.81 SIRT5 (0.50) STK17BSTK17ABRD4HTTTGM2
SCHEMBL16057286 0.79 HTT (0.50) STK17BSTK17ABRD4HTTTGM2
SCHEMBL5149463 0.78 TGM2 (0.50) STK17BSTK17ABRD4HTTTGM2
SCHEMBL3863540 0.77 SIRT5 (0.53) STK17BSTK17ABRD4HTTTGM2
SCHEMBL4182957 0.76 STK17A (0.38) STK17BSTK17AL3MBTL1LMNASMN1; SMN2
SCHEMBL16055893 0.76 BRD4 (0.44) STK17BSTK17ABRD4HTTTGM2
SCHEMBL3715709 0.75 STK17A (0.39) STK17BSTK17AL3MBTL1
SCHEMBL3715707 0.74 STK17B (0.38) STK17BSTK17AL3MBTL1MAPTLMNA
SCHEMBL3863544 0.72 BRD4 (0.47) BRD4HTTTGM2KEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2403853-B1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2013-08-14 EP disclosed
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
WO-2010100431-A1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-09-10 WO 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 STK17B 171/4885STK17A 64/4885BRD4 519/4885

“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.