SCHEMBL9972909

SCHEMBL9972909

CC(C)c1ccnc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.48
TP53 P04637 3/20 0.46
MAPT P10636 1/20 0.46
TAS2R14 Q9NYV8 2/20 0.43
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PIK3CD O00329 1/20 0.40
POLB P06746 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CNR1 P21554 1/20 0.40
ACHE P22303 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
NTSR1 P30989 1/20 0.40
MC3R P41968 1/20 0.40
NOTUM Q6P988 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
GDA Q9Y2T3 1/20 0.40
NR2E1 Q9Y466 1/20 0.40

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
SCHEMBL12615170 0.80 ADORA2B (0.42) LMNAMAPTKMT2ARXFP1PIK3CD
SCHEMBL9037923 0.77 TAS2R14 (0.46) LMNATP53TAS2R14KMT2APIK3CD
SCHEMBL9039076 0.77 TAS2R14 (0.48) LMNATP53MAPTTAS2R14KMT2A
SCHEMBL9536102 0.77 TAS2R14 (0.45) LMNAMAPTTAS2R14RXFP1PIK3CD
SCHEMBL9536256 0.77 TAS2R14 (0.45) LMNATP53MAPTTAS2R14KMT2A
SCHEMBL9039454 0.74 TAS2R14 (0.46) LMNATP53MAPTTAS2R14PIK3CD
SCHEMBL9972893 0.74 TAS2R14 (0.43) LMNATP53MAPTTAS2R14PIK3CD
SCHEMBL9038372 0.74 TAS2R14 (0.46) LMNATP53MAPTTAS2R14PIK3CD
SCHEMBL9534385 0.74 TAS2R14 (0.44) LMNATP53MAPTTAS2R14KMT2A
SCHEMBL9039797 0.73 TAS2R14 (0.48) LMNATP53MAPTTAS2R14PIK3CD

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-20120157411-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPAI ANTAGONISTS GLENMARK PHARMACEUTICALS, S.A. (CH) 2012-06-21 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-20120157411-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPAI ANTAGONISTS TRPA1, TRPV1, TRPV2 LMNA 2576/4885TP53 2623/4885MAPT 857/4885

“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.