SCHEMBL3393897

SCHEMBL3393897

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 2/20 0.49
CSNK2A2 P19784 6/20 0.48
CSNK2A1 P68400 6/20 0.48
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
TP53 P04637 3/20 0.43
ALOX15 P16050 1/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.42
CCNT1 O60563 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CDK9 P50750 1/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42

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
SCHEMBL3393212 0.89 TNIK (0.56) TNIKCSNK2A2CSNK2A1NPC1RAB9A
SCHEMBL3397141 0.89 CSNK2A2 (0.51) TNIKCSNK2A2CSNK2A1NPC1RAB9A
SCHEMBL3397155 0.87 CSNK2A2 (0.60) CSNK2A2CSNK2A1NPC1RAB9ASMN1; SMN2
SCHEMBL3393585 0.84 CSNK2A2 (0.48) TNIKCSNK2A2CSNK2A1RAB9ASMN1; SMN2
SCHEMBL3394786 0.83 POLB (0.52) TNIKCSNK2A2CSNK2A1RAB9AALOX15
SCHEMBL3396383 0.83 CSNK2A2 (0.55) CSNK2A2CSNK2A1NPC1RAB9ASMN1; SMN2
SCHEMBL3396805 0.82 TNIK (0.51) TNIKCSNK2A2CSNK2A1RAB9AALOX15
SCHEMBL3393588 0.82 CSNK2A2 (0.55) CSNK2A2CSNK2A1NPC1RAB9ASMN1; SMN2
SCHEMBL3394933 0.82 CSNK2A2 (0.60) CSNK2A2CSNK2A1NPC1RAB9ASMN1; SMN2
SCHEMBL3393872 0.82 CSNK2A2 (0.52) CSNK2A2CSNK2A1NPC1RAB9ASMN1; SMN2

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 TNIK 1/4885CSNK2A2 18/4885CSNK2A1 24/4885

“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.