SCHEMBL20569226

SCHEMBL20569226

O=Cc1c(I)c(C2CC2)nn1Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 10/20 0.40
ADORA3 P0DMS8 3/20 0.40
KCNJ6 P48051 6/20 0.38
KCNJ5 P48544 6/20 0.38
KCNJ3 P48549 6/20 0.38
ADORA2A P29274 1/20 0.38
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
SLC22A12 Q96S37 1/20 0.35
CNR2 P34972 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
SCHEMBL20570414 0.76 DRD2 (0.37) KCNJ6KCNJ5KCNJ3DRD2DRD4
SCHEMBL20568381 0.74 PDE5A (0.41) KCNJ6KCNJ5KCNJ3
SCHEMBL27983382 0.70 CNR1 (0.52) DRD3SLC22A12CNR2
SCHEMBL1231553 0.70 CNR2 (0.46) CNR2
SCHEMBL20568480 0.69 ALDH1A1 (0.42) ADORA1ADORA3KCNJ6KCNJ5KCNJ3
SCHEMBL27166942 0.69 PDK1 (0.42) KCNJ6KCNJ5KCNJ3DRD2DRD4
SCHEMBL20569484 0.69 KCNJ6 (0.49) ADORA1ADORA3KCNJ6KCNJ5KCNJ3
SCHEMBL18096451 0.68 PTGER4 (0.47) CNR2
SCHEMBL25680697 0.67 CYP19A1 (0.44) ADORA1ADORA3ADORA2ADRD2DRD4
SCHEMBL22125717 0.66 POLB (0.49)

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-20210137886-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2021-05-13 US disclosed
US-20210137886-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2021-05-13 US disclosed
EP-3630777-A1 INHIBITORS OF METALLO-BETA-LACTAMASES Oxford University Innovation Limited (GB) 2020-04-08 EP disclosed
WO-2018215800-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2018-11-29 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 (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-20210137886-A1 INHIBITORS OF METALLO-BETA-LACTAMASES MGAM, GAA, LCT ADORA1 4200/4885ADORA3 4449/4885KCNJ6 2580/4885

“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.