SCHEMBL259241

SCHEMBL259241

Cc1cccc(NC(=O)Cc2csc(N)n2)c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.57
MAPT P10636 4/20 0.57
GAA P10253 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.52
LMNA P02545 1/20 0.52
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
CTPS1 P17812 2/20 0.51
THRB P10828 1/20 0.51
KDR P35968 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 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
SCHEMBL11517733 0.82 PDE5A (0.56) MAPTGAASMN1; SMN2LMNAALDH1A1
SCHEMBL775165 0.78 GABRA5 (0.51) TP53MAPTGAASMN1; SMN2LMNA
SCHEMBL259112 0.78 IRAK4 (0.61) TP53MAPTGAASMN1; SMN2LMNA
SCHEMBL23132710 0.77 CTPS1 (0.64) TP53MAPTGAASMN1; SMN2LMNA
SCHEMBL17373185 0.75 ADRB3 (0.61) TP53MAPTGAASMN1; SMN2LMNA
SCHEMBL259393 0.74 NPC1 (0.67) TP53SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL1342023 0.73 GABRA5 (0.64) TP53MAPTGAASMN1; SMN2KDM4E
SCHEMBL10977240 0.73 MAPT (0.71) TP53MAPTGAASMN1; SMN2LMNA
SCHEMBL21348789 0.73 L3MBTL1 (0.61) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL2014002 0.73 MEN1 (0.72) KDM4EALDH1A1HPGDCYP1A2CYP3A4

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 9 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-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-20100137584-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 TP53 92/4885MAPT 3923/4885GAA 1781/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A TP53 92/4885MAPT 3923/4885GAA 1781/4885
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A TP53 92/4885MAPT 3923/4885GAA 1781/4885

“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.