SCHEMBL3393246

SCHEMBL3393246

CN1CCN(c2ccc(C(=O)Nc3cnc(Nc4cccnc4)s3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.54
KDR P35968 2/20 0.54
AURKA O14965 1/20 0.54
TNIK Q9UKE5 4/20 0.51
BRD4 O60885 1/20 0.49
LRRK2 Q5S007 1/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
KIT P10721 1/20 0.48
IRAK4 Q9NWZ3 1/20 0.47
NAMPT P43490 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LCK P06239 1/20 0.45
MAPK14 Q16539 1/20 0.45

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 0.83 RAB9A (0.67) KDRTNIKNPC1RAB9AMAPT
SCHEMBL3396852 0.81 TNIK (0.72) FLT3KDRAURKATNIKMAPT
SCHEMBL3393963 0.81 NAMPT (0.56) KDRNPC1RAB9ANAMPTHTT
SCHEMBL3395748 0.76 HDAC3 (0.50) KDRTNIKNPC1RAB9ANAMPT
SCHEMBL11296100 0.74 NAMPT (0.55) FLT3KDRAURKALRRK2NPC1
SCHEMBL3392289 0.73 TRPV1 (0.49) KDRNAMPT
SCHEMBL12078323 0.73 NAMPT (0.71) FLT3KDRAURKALRRK2NAMPT
SCHEMBL13333221 0.73 AURKA (0.44) FLT3KDRAURKATNIKBRD4
SCHEMBL28568192 0.69 NPC1 (0.66) NPC1RAB9AMAPTPOLBMEN1
SCHEMBL3393541 0.69 CACNA1B (0.56) TNIKNPC1RAB9ANAMPTMAPT

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 FLT3 3511/4885KDR 1369/4885AURKA 397/4885

“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.