SCHEMBL21363590

SCHEMBL21363590

CC(C)(C)n1c(N)nc2cccnc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 4/20 0.43
AKT2 P31751 2/20 0.43
AKT3 Q9Y243 1/20 0.43
ALOX5AP P20292 5/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
CSF1R P07333 1/20 0.37
PRMT5 O14744 1/20 0.37
CDK9 P50750 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK2 Q92630 1/20 0.36
PDE10A Q9Y233 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL22477777 0.84 AKT1 (0.40) AKT1AKT2AKT3KDM4EMAPT
SCHEMBL21363576 0.78 KDM4E (0.46) KDM4ECYP1A2CYP2C19CDK9ALDH1A1
SCHEMBL19233674 0.77 KDM4E (0.52) AKT1AKT2AKT3KDM4EMAPT
SCHEMBL17144457 0.76 CYP1A2 (0.47) AKT1AKT2AKT3KDM4EMAPT
SCHEMBL26597001 0.74 ATM (0.43) AKT1AKT2AKT3ALOX5APKDM4E
SCHEMBL25165855 0.73 ALOX5AP (0.31) ALOX5AP
SCHEMBL12598270 0.73 NOS2 (0.55) KDM4ECYP1A2DYRK1AALDH1A1
SCHEMBL16084155 0.72 CDK9 (0.42) AKT1AKT2AKT3PRMT5CDK9
SCHEMBL21363710 0.72 CYP1A2 (0.41) AKT1AKT2AKT3KDM4EMAPT
SCHEMBL1979492 0.72 CYP1A2 (0.57) AKT1KDM4EMAPTCYP1A2CYP2C19

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 3 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-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 (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-11655245-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, P2RX3 AKT1 2420/4885AKT2 3061/4885AKT3 2047/4885
US-20190284179-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 AKT1 2150/4885AKT2 2804/4885AKT3 1779/4885
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 AKT1 2150/4885AKT2 2804/4885AKT3 1779/4885

“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.