SCHEMBL5653636

SCHEMBL5653636

COc1ccc2nc(NC(=O)CN)sc2c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.77
NPC1 O15118 7/20 0.76
RAB9A P51151 6/20 0.76
SMN1; SMN2 Q16637 3/20 0.76
TSHR P16473 1/20 0.76
CSNK1D P48730 7/20 0.74
ALDH1A1 P00352 2/20 0.72
TP53 P04637 1/20 0.72
CYP1A2 P05177 1/20 0.72
CYP3A4 P08684 1/20 0.72
CYP2C19 P33261 1/20 0.72
HTT P42858 1/20 0.72
DYRK1A Q13627 1/20 0.72
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
MAPT P10636 2/20 0.70
SCD O00767 2/20 0.67
ATAD2 Q6PL18 1/20 0.67
GAA P10253 1/20 0.67
LMNA P02545 1/20 0.65

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
SCHEMBL7786534 0.90 CASP2 (0.77) CASP2NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL9332913 0.88 CASP2 (0.79) CASP2NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL8353964 0.87 CASP2 (0.77) CASP2NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL20543332 0.87 CASP2 (1.00) CASP2NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL29500248 0.87 CASP2 (0.77) CASP2NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL7933605 0.87 CASP2 (0.77) CASP2NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL19844556 0.86 CASP2 (0.65) CASP2NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL19844553 0.86 ATAD2 (0.70) CASP2NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL9332358 0.85 NPC1 (0.77) CASP2NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL19844609 0.85 CASP2 (0.74) CASP2NPC1RAB9ASMN1; SMN2TSHR

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-20070208166-A1 Tao Kinase Modulators And Method Of Use EXELIXIS, INC. (US) 2007-09-06 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 (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-20070208166-A1 Tao Kinase Modulators And Method Of Use TAOK1, TAOK3, MAP3K6 CASP2 1558/4885NPC1 3827/4885RAB9A 1857/4885

“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.