SCHEMBL5653631

SCHEMBL5653631

COc1ccc2nc(NCC(N)=O)sc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.64
RAB9A P51151 9/20 0.64
SMN1; SMN2 Q16637 6/20 0.64
HTT P42858 2/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2C19 P33261 1/20 0.64
DYRK1A Q13627 1/20 0.64
CASP2 P42575 1/20 0.62
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA7 P43166 1/20 0.61
TSHR P16473 2/20 0.61
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
SCD O00767 4/20 0.60
ATAD2 Q6PL18 1/20 0.60
MAPT P10636 5/20 0.60
CSNK1D P48730 2/20 0.60

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
SCHEMBL24846611 0.81 MAPT (0.63) NPC1RAB9ASMN1; SMN2HTTCYP1A2
SCHEMBL2759560 0.81 RAB9A (0.65) NPC1RAB9ASMN1; SMN2HTTCYP1A2
SCHEMBL31390761 0.81 CA12 (0.60) NPC1RAB9ASMN1; SMN2HTTCYP1A2
SCHEMBL5653636 0.80 CASP2 (0.77) NPC1RAB9ASMN1; SMN2HTTCYP1A2
SCHEMBL30526514 0.79 CA12 (0.61) NPC1RAB9ASMN1; SMN2HTTCYP1A2
SCHEMBL31390763 0.79 CA12 (0.54) NPC1RAB9ASMN1; SMN2HTTCYP1A2
SCHEMBL21814758 0.79 QPCT (0.63) NPC1RAB9ASMN1; SMN2HTTCYP1A2
SCHEMBL30526515 0.79 CA12 (0.60) NPC1RAB9ASMN1; SMN2HTTCYP1A2
SCHEMBL30526513 0.79 CA12 (0.60) NPC1RAB9ASMN1; SMN2HTTCYP1A2
SCHEMBL30526526 0.79 CA12 (0.60) NPC1RAB9ASMN1; SMN2HTTCYP1A2

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 NPC1 3827/4885RAB9A 1857/4885SMN1; SMN2 4552/4885

“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.