SCHEMBL3393963

SCHEMBL3393963

CC(=O)Nc1ccc(C(=O)Nc2cnc(Nc3cccnc3)s2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.56
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
RAB9A P51151 5/20 0.53
NPC1 O15118 4/20 0.53
KMT2A Q03164 2/20 0.53
MAPK1 P28482 1/20 0.53
POLB P06746 1/20 0.53
HTT P42858 1/20 0.51
HDAC3 O15379 1/20 0.50
ABL1 P00519 1/20 0.50
PDGFRB P09619 1/20 0.50
KDR P35968 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50

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
SCHEMBL3393541 0.89 CACNA1B (0.56) NAMPTSMN1; SMN2ALDH1A1KDM4ETDP1
SCHEMBL3395748 0.84 HDAC3 (0.50) NAMPTSMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL3398555 0.84 RAB9A (0.55) NAMPTSMN1; SMN2ALDH1A1KDM4ETDP1
SCHEMBL3397270 0.83 PTPN11 (0.50) RAB9ANPC1KMT2APOLBHDAC3
SCHEMBL3398551 0.83 POLB (0.49) SMN1; SMN2ALDH1A1KDM4ETDP1RAB9A
SCHEMBL3393588 0.81 CSNK2A2 (0.55) SMN1; SMN2ALDH1A1KDM4ERAB9ANPC1
SCHEMBL3392289 0.81 TRPV1 (0.49) NAMPTSMN1; SMN2ALDH1A1MAPK1HDAC3
SCHEMBL3393246 0.81 FLT3 (0.54) NAMPTRAB9ANPC1KMT2APOLB
SCHEMBL3393245 0.79 TNIK (0.70) SMN1; SMN2ALDH1A1KDM4ETDP1POLB
SCHEMBL49506 0.74 RAB9A (0.65) NAMPTALDH1A1KDM4ERAB9ANPC1

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 NAMPT 1035/4885SMN1; SMN2 2662/4885ALDH1A1 3970/4885

“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.