SCHEMBL2889068

SCHEMBL2889068

Ic1cn(-c2ccccc2)nn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.55
NOTUM Q6P988 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
MAOA P21397 1/20 0.53
DRD2 P14416 2/20 0.45
DRD4 P21917 2/20 0.45
DRD3 P35462 2/20 0.45
ESRRA P11474 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CD74 P04233 1/20 0.41
MIF P14174 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
HDAC8 Q9BY41 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 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
SCHEMBL13255921 0.83 CA1 (0.45) P2RX7NOTUML3MBTL1MAOANPC1
SCHEMBL16651937 0.79 CYP2A6 (0.47) P2RX7L3MBTL1NPC1RAB9AMIF
SCHEMBL12352631 0.77 NOTUM (0.60) NOTUMCA12CA9KEAP1NFE2L2
SCHEMBL2629357 0.74 P2RX7 (0.55) P2RX7NOTUML3MBTL1MAOADRD2
SCHEMBL12959177 0.74 P2RX7 (0.55) P2RX7NOTUML3MBTL1MAOADRD2
SCHEMBL23028378 0.74 NOTUM (0.58) P2RX7NOTUML3MBTL1MAOADRD2
SCHEMBL16090354 0.74 P2RX7 (0.55) P2RX7NOTUML3MBTL1MAOADRD2
SCHEMBL6030190 0.74 NOTUM (0.58) P2RX7NOTUML3MBTL1MAOADRD2
SCHEMBL17039112 0.74 P2RX7 (0.55) P2RX7NOTUML3MBTL1MAOADRD2
SCHEMBL12443625 0.74 P2RX7 (0.55) P2RX7NOTUML3MBTL1MAOADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11826435-B2 Conduritol aziridine derivatives and uses thereof UNIVERSITY OF SASKATCHEWAN (CA) 2023-11-28 US disclosed
US-20210052752-A1 CONDURITOL AZIRIDINE DERIVATIVES AND USES THEREOF UNIVERSITY OF SASKATCHEWAN (CA) 2021-02-25 US disclosed
EP-2643023-B1 RADIOIODINATION METHOD GE HEALTHCARE LTD (GB) 2018-07-18 EP disclosed
US-7858800-B2 Biaryl derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-12-28 US disclosed
US-20070191389-A1 Biaryl derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-16 US disclosed
EP-1764362-A1 BIARYL DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-03-21 EP disclosed
WO-2007015812-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2007-02-08 WO 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-11826435-B2 Conduritol aziridine derivatives and uses thereof GAA, MAN2B1, GBA3 P2RX7 893/4885NOTUM 1059/4885L3MBTL1 4857/4885
US-20070191389-A1 Biaryl derivatives GRM1, GRIN1, GRIN2B P2RX7 1337/4885NOTUM 3935/4885L3MBTL1 286/4885
US-20210052752-A1 CONDURITOL AZIRIDINE DERIVATIVES AND USES THEREOF GAA, MAN2B1, GBA3 P2RX7 893/4885NOTUM 1059/4885L3MBTL1 4857/4885

“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.