SCHEMBL21363401

SCHEMBL21363401

Bc1nc2ncn(C)c2c(=O)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GDA Q9Y2T3 2/20 0.49
CYP3A4 P08684 3/20 0.47
PMP22 Q01453 3/20 0.47
MAPK1 P28482 1/20 0.47
ADORA2A P29274 5/20 0.42
PDE4A P27815 4/20 0.42
PDE4B Q07343 4/20 0.42
PDE4C Q08493 4/20 0.42
PDE4D Q08499 4/20 0.42
BLM P54132 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
ADORA2B P29275 2/20 0.35
PIK3CD O00329 1/20 0.35
POLB P06746 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CNR1 P21554 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL763929 0.81 GDA (0.50) GDACYP3A4PMP22MAPK1ADORA2A
SCHEMBL25547 0.79 GDA (0.49) GDACYP3A4PMP22MAPK1ADORA2A
SCHEMBL3425371 0.79 GDA (0.49) GDACYP3A4PMP22MAPK1ADORA2A
SCHEMBL17373192 0.77 GDA (0.50) GDACYP3A4PMP22MAPK1ADORA2A
SCHEMBL30819196 0.77 GDA (0.46) GDACYP3A4PMP22MAPK1ADORA2A
SCHEMBL38660560 0.77 GDA (0.46) GDACYP3A4PMP22MAPK1ADORA2A
Phosphoric Acid SCHEMBL28768404 0.73 EIF4E (0.46) GDACYP3A4PMP22MAPK1POLB
SCHEMBL6838789 0.72 PDE4A (0.46) GDACYP3A4PMP22MAPK1ADORA2A
SCHEMBL23365318 0.70 ADORA2A (0.43) GDACYP3A4PMP22MAPK1ADORA2A
SCHEMBL20472278 0.70 ALDH1A1 (0.47) GDACYP3A4PMP22MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11655245-B2 Oxadiazole transient receptor potential channel inhibitors GENENTECH, INC. (US) 2023-05-23 US disclosed
US-20230121700-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2023-04-20 US disclosed
US-20200308161-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2020-10-01 US disclosed
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors GENENTECH, INC. (US) 2020-07-14 US disclosed
US-20190284179-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2019-09-19 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 (5 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-11655245-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, P2RX3 GDA 4450/4885CYP3A4 843/4885PMP22 1180/4885
US-20190284179-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 GDA 4649/4885CYP3A4 865/4885PMP22 960/4885
US-20200308161-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, P2RX3 GDA 4450/4885CYP3A4 843/4885PMP22 1180/4885
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 GDA 4649/4885CYP3A4 865/4885PMP22 960/4885
US-20230121700-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 GDA 4649/4885CYP3A4 865/4885PMP22 960/4885

“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.