SCHEMBL3397267

SCHEMBL3397267

COc1ccc(Nc2ncc(NC(=O)c3ccc(OCCN4CCCC4)cc3)s2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.52
JAK1 P23458 3/20 0.52
HDAC1 Q13547 3/20 0.52
JAK2 O60674 1/20 0.52
RET P07949 1/20 0.52
TYK2 P29597 1/20 0.52
FLT3 P36888 1/20 0.52
JAK3 P52333 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
MCHR1 Q99705 5/20 0.51
KDM4E B2RXH2 1/20 0.48
AURKB Q96GD4 1/20 0.48
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
POLB P06746 1/20 0.47
ESR1 P03372 2/20 0.47
ESR2 Q92731 2/20 0.47
KCNA5 P22460 1/20 0.47
KDR P35968 1/20 0.47

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
SCHEMBL3394786 0.90 POLB (0.52) MCHR1AURKBPOLB
SCHEMBL3396805 0.89 TNIK (0.51) MCHR1POLB
SCHEMBL3397155 0.85 CSNK2A2 (0.60) KDM4EPOLB
SCHEMBL3393589 0.83 PKM (0.56) FLT3
SCHEMBL3397183 0.82 TNIK (0.60) BRD4JAK1HDAC1JAK2RET
SCHEMBL3394470 0.82 HIF1A (0.52) FLT3KDM4EAURKBKDR
SCHEMBL3392722 0.81 RAB9A (0.67) POLBKDR
SCHEMBL3397141 0.81 CSNK2A2 (0.51) KDM4EPOLB
SCHEMBL3601714 0.80 LTA4H (0.53) MCHR1ESR1
SCHEMBL3396383 0.80 CSNK2A2 (0.55) KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216795-A1 TNIK INHIBITOR AND THE USE YAMADA TESSHI 2010-08-26 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-20100216795-A1 TNIK INHIBITOR AND THE USE TNIK, TNNI3K, TNK1 BRD4 2134/4885JAK1 1075/4885HDAC1 1696/4885

“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.