SCHEMBL3395748

SCHEMBL3395748

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.50
ABL1 P00519 2/20 0.50
PDGFRB P09619 2/20 0.50
KDR P35968 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
NAMPT P43490 7/20 0.49
CYP11B1 P15538 3/20 0.49
CYP11B2 P19099 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.47
TRPV1 Q8NER1 2/20 0.46

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
SCHEMBL3392289 0.88 TRPV1 (0.49) HDAC3ABL1PDGFRBKDRHDAC4
SCHEMBL3393963 0.84 NAMPT (0.56) HDAC3ABL1PDGFRBKDRHDAC4
SCHEMBL3393212 0.81 TNIK (0.56) SMN1; SMN2TNIKNPC1RAB9ALMNA
SCHEMBL3393595 0.80 TNIK (0.72) TNIKLMNAPOLB
SCHEMBL3393246 0.76 FLT3 (0.54) KDRNAMPTTNIKNPC1RAB9A
SCHEMBL3397141 0.73 CSNK2A2 (0.51) SMN1; SMN2TNIKNPC1RAB9ALMNA
SCHEMBL3393585 0.73 CSNK2A2 (0.48) HDAC1NAMPTSMN1; SMN2TNIKRAB9A
SCHEMBL3393541 0.72 CACNA1B (0.56) NAMPTSMN1; SMN2TNIKNPC1RAB9A
SCHEMBL3393897 0.71 TNIK (0.49) SMN1; SMN2TNIKNPC1RAB9ALMNA
SCHEMBL3396750 0.69 TNIK (0.57) TNIKLMNAPOLB

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 HDAC3 1737/4885ABL1 209/4885PDGFRB 1839/4885

“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.