SCHEMBL1328384

SCHEMBL1328384

COC(=O)c1ccc(C#Cc2ccnc3[nH]ccc23)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.44
BRD4 O60885 2/20 0.43
MAP2K1 Q02750 1/20 0.41
TTBK1 Q5TCY1 1/20 0.39
TTBK2 Q6IQ55 1/20 0.39
CIT O14578 2/20 0.39
MET P08581 2/20 0.37
SLC16A3 O15427 1/20 0.36
AAK1 Q2M2I8 3/20 0.36
AXL P30530 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
RET P07949 1/20 0.35

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
SCHEMBL1330150 0.85 BRD4 (0.49) BRD4CITAAK1AXL
SCHEMBL1328801 0.82 KDM4E (0.46) NUDT1MAP2K1CITAAK1AXL
SCHEMBL1329286 0.81 CDK8 (0.46) NUDT1BRD4MAP2K1AXL
SCHEMBL1329895 0.80 NUDT1 (0.48) NUDT1MAP2K1TTBK1TTBK2MET
SCHEMBL12127645 0.78 BRD4 (0.64) NUDT1BRD4CIT
SCHEMBL858643 0.77 TTBK1 (0.46) NUDT1BRD4MAP2K1TTBK1TTBK2
SCHEMBL1329521 0.76 CCNK (0.44) NUDT1BRD4TTBK1TTBK2MET
SCHEMBL1329848 0.75 AAK1 (0.52) BRD4TTBK1TTBK2AAK1
SCHEMBL1327827 0.74 BRD4 (0.48) NUDT1BRD4MAP2K1TTBK1TTBK2
SCHEMBL1328773 0.74 BRD4 (0.48) BRD4TTBK1TTBK2METAAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110282056-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-11-17 US claimed
CN-101918079-A Protein kinase inhibitors and use thereof MERCK SERONO SA 2010-12-15 CN claimed
EP-2231282-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF Merck Patent GmbH (DE) 2010-09-29 EP claimed
WO-2009094123-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK SERONO S.A. (CH) 2009-07-30 WO claimed
US-20110282056-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-11-17 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 (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-20110282056-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MAP3K19, MAP3K20, MAP3K1 NUDT1 3161/4885BRD4 1599/4885MAP2K1 342/4885

“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.