SCHEMBL8478533

SCHEMBL8478533

CCC(=O)c1c[nH]c2ncc(Br)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 2/20 0.44
AURKA O14965 2/20 0.44
MAP4K4 O95819 2/20 0.44
FES P07332 2/20 0.44
FGFR1 P11362 2/20 0.44
FLT1 P17948 2/20 0.44
KDR P35968 2/20 0.44
FLT3 P36888 2/20 0.44
FRK P42685 2/20 0.44
CLK2 P49760 2/20 0.44
LIMK1 P53667 2/20 0.44
MINK1 Q8N4C8 2/20 0.44
HIPK4 Q8NE63 2/20 0.44
AURKB Q96GD4 2/20 0.44
SLK Q9H2G2 2/20 0.44
HIPK2 Q9H2X6 2/20 0.44
MAP3K20 Q9NYL2 2/20 0.44
MAP4K5 Q9Y4K4 2/20 0.44
JAK2 O60674 1/20 0.44
ROCK2 O75116 1/20 0.44

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
SCHEMBL31635975 0.87 CDK2 (0.46) PLK4AURKAMAP4K4FESFGFR1
SCHEMBL1516742 0.87 CDK2 (0.46) PLK4AURKAMAP4K4FESFGFR1
SCHEMBL7520159 0.87 AURKA (0.46) PLK4AURKAMAP4K4FESFGFR1
SCHEMBL9888004 0.85 CDK2 (0.44) PLK4AURKAMAP4K4FESFGFR1
SCHEMBL12707244 0.83 ITK (0.43) PLK4AURKAMAP4K4FESFGFR1
SCHEMBL1516568 0.83 DYRK1A (0.48) PLK4AURKAMAP4K4FESFGFR1
SCHEMBL28046056 0.83 BRAF (0.53) PLK4AURKAMAP4K4FESFGFR1
SCHEMBL4828101 0.83 AURKA (0.54) PLK4AURKAMAP4K4FESFGFR1
SCHEMBL1516649 0.82 BRAF (0.40) PLK4AURKAMAP4K4FESFGFR1
SCHEMBL19997257 0.82 BRAF (0.52) PLK4AURKAMAP4K4FESFGFR1

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-20130245355-A1 3-HETARYL-SUBSTITUTED PYRROLO[2,3 B]PYRIDINE DERIVATIVES AS PDK1 INHIBITORS MERCK PATENT GMBH (DE) 2013-09-19 US disclosed
US-20110218198-A1 Pyrrolopyridinylpyrimidin-2-ylamine derivatives MERCK PATENT GESELLSCHAFT (DE) 2011-09-08 US disclosed
CN-102171210-A Imidazopyridin-2-one derivatives DAIICHI SANKYO CO LTD 2011-08-31 CN disclosed
US-20110082140-A1 6-(PYRROLOPYRIDINYL) PYRIMIDIN-2-YLAMINE DERIVATIVES AND THE USE THEREOF FOR THE TREATMENT OF CANCER AND AIDS. MERCK PATENT GMBH (DE) 2011-04-07 US disclosed
EP-1749829-B1 JNK inhibitors EISAI R&D MAN CO LTD (JP) 2010-11-03 EP disclosed
US-20100035878-A1 INHIBITORS OF C-JUN N-TERMINAL KINASES FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS RELATING TO APOPTOSIS AND/OR INFLAMMATION EISAI R & D MANAGEMENT CO., LTD. (JP) 2010-02-11 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 (4 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-20100035878-A1 INHIBITORS OF C-JUN N-TERMINAL KINASES FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS RELATING TO APOPTOSIS AND/OR INFLAMMATION NFKBIA, CHUK, MAP3K1 PLK4 1567/4885AURKA 2232/4885MAP4K4 87/4885
US-20110082140-A1 6-(PYRROLOPYRIDINYL) PYRIMIDIN-2-YLAMINE DERIVATIVES AND THE USE THEREOF FOR THE TREATMENT OF CANCER AND AIDS. MKI67, TYMP, TK2 PLK4 176/4885AURKA 431/4885MAP4K4 572/4885
US-20110218198-A1 Pyrrolopyridinylpyrimidin-2-ylamine derivatives MKI67, CCNT1, CCNI PLK4 458/4885AURKA 786/4885MAP4K4 1063/4885
US-20130245355-A1 3-HETARYL-SUBSTITUTED PYRROLO[2,3 B]PYRIDINE DERIVATIVES AS PDK1 INHIBITORS PDK1, PDK2, PDK3 PLK4 214/4885AURKA 1072/4885MAP4K4 137/4885

“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.