SCHEMBL259112

SCHEMBL259112

Cc1cccc(NC(=O)c2csc(N)n2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.61
SMN1; SMN2 Q16637 5/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
LMNA P02545 3/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPT P10636 3/20 0.54
POLB P06746 1/20 0.54
HTT P42858 1/20 0.54
NPC1 O15118 2/20 0.53
TP53 P04637 2/20 0.53
RAB9A P51151 2/20 0.53
RXFP1 Q9HBX9 1/20 0.52
BACE1 P56817 1/20 0.49
NPSR1 Q6W5P4 2/20 0.49
SCN2A Q99250 1/20 0.49
SCN10A Q9Y5Y9 1/20 0.49
GAA P10253 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL21130396 0.85 MAPT (0.67) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL19914355 0.84 MAPT (0.54) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL19914352 0.83 TDP1 (0.66) IRAK4SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL12790014 0.81 IRAK4 (0.77) IRAK4SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL259241 0.78 TP53 (0.57) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL1657743 0.78 IRAK4 (0.54) IRAK4SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL5184485 0.76 IRAK4 (0.53) IRAK4SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL19914394 0.76 IRAK4 (0.53) IRAK4SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL30643208 0.76 KDR (0.72) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL29723905 0.76 KDR (0.72) SMN1; SMN2MEN1KMT2ALMNAALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067586-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2011-11-29 US disclosed
US-8067586-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2011-11-29 US disclosed
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 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 (3 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-20100137584-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A IRAK4 1303/4885SMN1; SMN2 4764/4885MEN1 3330/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A IRAK4 1303/4885SMN1; SMN2 4764/4885MEN1 3330/4885
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A IRAK4 1303/4885SMN1; SMN2 4764/4885MEN1 3330/4885

“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.