Sugi Predict

Sugi Predict / Compounds / SCHEMBL1285345

SCHEMBL1285345

SCHEMBL1285345

O=C(NCCCn1ccc2cnc(Nc3cccc(N4CCCC4=O)c3)nc21)C1CCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 14/20 0.67
▸ STK17A Q9UEE5 4/20 0.46
▸ MARK3 P27448 3/20 0.46
▸ MARK4 Q96L34 3/20 0.46
▸ PDPK1 O15530 3/20 0.46
▸ SYK P43405 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ ULK1 O75385 3/20 0.44
▸ ULK2 Q8IYT8 3/20 0.44
▸ SIK2 Q9H0K1 2/20 0.44
▸ STK17B O94768 1/20 0.44
▸ TYK2 P29597 1/20 0.44
▸ AAK1 Q2M2I8 1/20 0.44
▸ MKNK2 Q9HBH9 1/20 0.44
▸ PDK1 Q15118 2/20 0.43
▸ NUAK1 O60285 1/20 0.43
▸ PRKAA2 P54646 1/20 0.43
▸ SIK1 P57059 1/20 0.43
▸ PRKAA1 Q13131 1/20 0.43
▸ IKBKE Q14164 1/20 0.43

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
SCHEMBL1284915 0.91 TBK1 (0.59) TBK1MARK3ULK1ULK2IKBKE
SCHEMBL15163342 0.90 TBK1 (0.53) TBK1STK17AMARK3PDPK1SYK
SCHEMBL1284573 0.85 TBK1 (0.78) TBK1STK17AMARK3MARK4PDPK1
SCHEMBL3713439 0.84 PAK1 (0.48) TBK1STK17AMARK3PDPK1SYK
SCHEMBL1285556 0.84 TBK1 (0.72) TBK1STK17AMARK3MARK4PDPK1
SCHEMBL1284711 0.84 TBK1 (0.65) TBK1STK17AMARK3MARK4PDPK1
SCHEMBL3713438 0.83 SYK (0.49) TBK1STK17AMARK3PDPK1SYK
SCHEMBL1284746 0.82 TBK1 (0.72) TBK1STK17AMARK3MARK4PDPK1
SCHEMBL1285068 0.82 TBK1 (0.69) TBK1STK17AMARK3MARK4PDPK1
SCHEMBL1284996 0.82 TBK1 (0.90) TBK1STK17AMARK3MARK4PDPK1

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 7 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
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
US-20120088753-A1 PYRROLOPYRIMIDINES AND USED AS KINASE INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2012-04-12 — — US 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 TBK1 17/4885STK17A 64/4885MARK3 1/4885

“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.