SCHEMBL3392289

SCHEMBL3392289

O=C(Nc1cnc(Nc2cccnc2)s1)c1ccc(NCCc2ccncc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.49
HDAC3 O15379 2/20 0.47
ABL1 P00519 2/20 0.47
PDGFRB P09619 2/20 0.47
KDR P35968 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
NAMPT P43490 5/20 0.46
CYP11B1 P15538 3/20 0.46
CYP11B2 P19099 3/20 0.46
EPHX2 P34913 1/20 0.45
MAPK1 P28482 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
SCHEMBL3395748 0.88 HDAC3 (0.50) TRPV1HDAC3ABL1PDGFRBKDR
SCHEMBL3393585 0.85 CSNK2A2 (0.48) HDAC1NAMPTSMN1; SMN2ALDH1A1
SCHEMBL3396750 0.81 TNIK (0.57)
SCHEMBL3393963 0.81 NAMPT (0.56) HDAC3ABL1PDGFRBKDRHDAC4
SCHEMBL3393246 0.73 FLT3 (0.54) KDRNAMPT
SCHEMBL3396325 0.71 TNIK (0.60)
SCHEMBL3397141 0.70 CSNK2A2 (0.51) SMN1; SMN2ALDH1A1
SCHEMBL3393212 0.70 TNIK (0.56) SMN1; SMN2ALDH1A1
SCHEMBL3396818 0.70 CSNK2A2 (0.56) NAMPTSMN1; SMN2ALDH1A1
SCHEMBL3393541 0.69 CACNA1B (0.56) NAMPTSMN1; SMN2ALDH1A1HPGD

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 TRPV1 1893/4885HDAC3 1737/4885ABL1 209/4885

“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.