SCHEMBL3450121

SCHEMBL3450121

NC(=O)CCNc1nc(Cl)ncc1Br

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STK17B O94768 2/20 0.40
STK17A Q9UEE5 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SYK P43405 2/20 0.36
AURKB Q96GD4 1/20 0.36
SIRT5 Q9NXA8 1/20 0.36
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CSNK2A1 P68400 1/20 0.33
BTK Q06187 1/20 0.33
TBK1 Q9UHD2 4/20 0.32
PDPK1 O15530 2/20 0.32
FPR2 P25090 4/20 0.32
FPR3 P25089 1/20 0.32
CHEK1 O14757 1/20 0.32

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
SCHEMBL27635199 0.87 SIRT5 (0.46) STK17BSTK17AMEN1KMT2ASIRT5
SCHEMBL5151732 0.85 MEN1 (0.41) STK17BSTK17AMEN1KMT2ASYK
SCHEMBL29474434 0.82 STK17B (0.39) STK17BSTK17AMEN1KMT2ASIRT5
SCHEMBL1774700 0.80 KMT2A (0.43) STK17BSTK17AMEN1KMT2AALDH1A1
SCHEMBL5151737 0.80 STK17A (0.50) STK17BSTK17AMEN1KMT2AALDH1A1
SCHEMBL17595892 0.79 STK17A (0.41) STK17BSTK17AMEN1KMT2ASIRT5
SCHEMBL3873064 0.79 STK17B (0.53) STK17BSTK17AMEN1KMT2ASYK
SCHEMBL1774178 0.78 GLP1R (0.45) STK17BSTK17AMEN1KMT2AALDH1A1
SCHEMBL3387168 0.78 TBK1 (0.41) STK17BSTK17AAURKBTBK1PDPK1
SCHEMBL3178372 0.78 PIN1 (0.50) STK17AAURKBSIRT5L3MBTL1

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
EP-2403853-B1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2013-08-14 EP disclosed
WO-2010100431-A1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-09-10 WO disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD STK17B 2457/4885STK17A 1984/4885MEN1 859/4885

“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.