SCHEMBL3393589

SCHEMBL3393589

COc1ccc(Nc2ncc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)s2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.56
HIF1A Q16665 1/20 0.54
EPAS1 Q99814 1/20 0.54
KMT2A Q03164 1/20 0.53
HSD17B10 Q99714 1/20 0.53
KIT P10721 1/20 0.52
FLT3 P36888 1/20 0.52
TNIK Q9UKE5 2/20 0.52
MAPT P10636 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPK14 Q16539 1/20 0.51
ABL1 P00519 2/20 0.51
ALK Q9UM73 2/20 0.50
TNF P01375 1/20 0.50
NOD2 Q9HC29 1/20 0.50
NOD1 Q9Y239 1/20 0.50
IKBKE Q14164 1/20 0.48
TBK1 Q9UHD2 1/20 0.48
PRKAA2 P54646 1/20 0.48
CSNK2A2 P19784 1/20 0.48

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
SCHEMBL3392722 0.86 RAB9A (0.67) KMT2AHSD17B10TNIKMAPTMAPK14
SCHEMBL3397155 0.84 CSNK2A2 (0.60) KMT2AMAPK14CSNK2A2CSNK2A1NPC1
SCHEMBL3396383 0.83 CSNK2A2 (0.55) KMT2AMAPTL3MBTL1MAPK14CSNK2A2
SCHEMBL3397267 0.83 BRD4 (0.52) FLT3
SCHEMBL28668646 0.82 PKM (0.79) PKMHIF1AEPAS1KMT2AHSD17B10
SCHEMBL3394786 0.82 POLB (0.52) KMT2ATNIKMAPTL3MBTL1CSNK2A2
SCHEMBL15667669 0.81 TNIK (0.67) PKMHIF1AEPAS1KMT2AHSD17B10
SCHEMBL3392647 0.81 TNIK (0.77) TNIKIKBKETBK1
SCHEMBL3396805 0.81 TNIK (0.51) KMT2ATNIKMAPTCSNK2A2CSNK2A1
SCHEMBL3394470 0.80 HIF1A (0.52) HIF1AEPAS1KMT2AFLT3MAPT

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 PKM 3077/4885HIF1A 2555/4885EPAS1 2729/4885

“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.