SCHEMBL25699486

SCHEMBL25699486

CCOC(=O)c1cn(-c2cc(C(=O)OC)cn3ccnc23)nn1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA12 O43570 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GLA P06280 1/20 0.37
PFKFB3 Q16875 1/20 0.37
ESRRA P11474 1/20 0.37
NOTUM Q6P988 2/20 0.36
MAPK1 P28482 1/20 0.36
POLB P06746 2/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL16829090 0.77 SLC5A1 (0.41) ALDH1A1HPGDSMN1; SMN2TP53
SCHEMBL3115960 0.75 CA1 (0.45) SPRCA1CA2CA9CA12
SCHEMBL25149587 0.73 L3MBTL1 (0.51) ALDH1A1KDM4ELMNASMN1; SMN2MAPK1
SCHEMBL16828791 0.72 ALDH1A1 (0.35) ALDH1A1HPGDKDM4ELMNASMN1; SMN2
SCHEMBL16828903 0.71 ALDH1A1 (0.33) ALDH1A1HPGDKDM4ELMNA
SCHEMBL454094 0.71 L3MBTL1 (0.43) CA1CA2CA9CA12CA7
SCHEMBL16828921 0.71 JMJD6 (0.42) CA1CA2CA9CA12CA7
SCHEMBL16829238 0.70 KDM4E (0.44) ALDH1A1HPGDKDM4ESMN1; SMN2GLA
SCHEMBL16828961 0.70 PIK3CA (0.39) ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL1404531 0.70 ALDH1A1 (0.48) SPRCA1CA2CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219954-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS ASANA BIOSCIENCES, LLC 2023-07-13 US disclosed
US-20230219954-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS ASANA BIOSCIENCES, LLC 2023-07-13 US disclosed
US-11685736-B2 P2X3 and/or P2X2/3 compounds and methods ABS DEVELOPMENT 1, INC. (US) 2023-06-27 US disclosed
US-11685736-B2 P2X3 and/or P2X2/3 compounds and methods ABS DEVELOPMENT 1, INC. (US) 2023-06-27 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 (2 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-20230219954-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS P2RX3, P2RX2, P2RX1 SPR 3477/4885CA1 1642/4885CA2 879/4885
US-11685736-B2 P2X3 and/or P2X2/3 compounds and methods P2RX3, P2RX2, P2RX1 SPR 3477/4885CA1 1642/4885CA2 879/4885

“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.