SCHEMBL1284874

SCHEMBL1284874

O=C(NCCCn1ccc2cnc(Nc3cccc(-c4cnco4)c3)nc21)C1CCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 16/20 0.67
PRKCQ Q04759 1/20 0.46
PDPK1 O15530 3/20 0.46
CCR3 P51677 1/20 0.45
STK17A Q9UEE5 4/20 0.44
MARK3 P27448 3/20 0.44
MARK4 Q96L34 3/20 0.44
SIK2 Q9H0K1 2/20 0.43
NUAK1 O60285 1/20 0.43
ULK1 O75385 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
MELK Q14680 1/20 0.43
PDK1 Q15118 1/20 0.43
MARK2 Q7KZI7 1/20 0.43
ULK2 Q8IYT8 1/20 0.43
NUAK2 Q9H093 1/20 0.43
MARK1 Q9P0L2 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
SCHEMBL1284579 0.91 TBK1 (0.59) TBK1MARK3ULK1IKBKEULK2
SCHEMBL15163536 0.90 TBK1 (0.53) TBK1PRKCQPDPK1CCR3STK17A
SCHEMBL1285556 0.84 TBK1 (0.72) TBK1PDPK1STK17AMARK3MARK4
SCHEMBL1284924 0.83 TBK1 (0.68) TBK1PDPK1STK17AMARK3MARK4
SCHEMBL1284746 0.82 TBK1 (0.72) TBK1PDPK1STK17AMARK3MARK4
SCHEMBL1285068 0.82 TBK1 (0.69) TBK1PDPK1STK17AMARK3MARK4
SCHEMBL3714758 0.82 PRKCQ (0.47) TBK1PRKCQPDPK1STK17AMARK3
SCHEMBL3714755 0.81 IRAK4 (0.44) TBK1PRKCQPDPK1STK17AMARK3
SCHEMBL1285492 0.81 TBK1 (0.70) TBK1PDPK1STK17AMARK3MARK4
SCHEMBL1284573 0.81 TBK1 (0.78) TBK1PDPK1STK17AMARK3MARK4

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 6 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-A1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS Medical Research Council Technology (GB) 2012-01-11 EP claimed
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

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 17/4885PRKCQ 203/4885PDPK1 280/4885

“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.