SCHEMBL11267993

SCHEMBL11267993

NNc1ccc(-c2ccccn2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.50
CNR2 P34972 1/20 0.46
WNT3A P56704 7/20 0.46
GRM5 P41594 1/20 0.46
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
CCR1 P32246 1/20 0.45
CCR5 P51681 1/20 0.45
CCR8 P51685 1/20 0.45
METAP1 P53582 1/20 0.45
BLM P54132 1/20 0.45
HIF1A Q16665 1/20 0.45
DOHH Q9BU89 1/20 0.45
P4HTM Q9NXG6 1/20 0.45
CHEK2 O96017 1/20 0.43
ABL1 P00519 1/20 0.43
MAPT P10636 1/20 0.41
TDO2 P48775 1/20 0.41

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
SCHEMBL30144824 1.00 CYP2A6 (0.50) CYP2A6CNR2WNT3AGRM5KDM4E
SCHEMBL21935795 0.79 CYP2A6 (0.47) CYP2A6CNR2WNT3AGRM5KDM4E
SCHEMBL26551518 0.78 PIK3CG (0.49) CYP2A6CNR2WNT3AGRM5CYP1A2
SCHEMBL2698364 0.77 ACHE (0.49) WNT3A
SCHEMBL18201427 0.77 CYP2A6 (0.49) CYP2A6CNR2WNT3AGRM5LMNA
SCHEMBL21494145 0.77 KDM4E (0.64) CYP2A6CNR2WNT3AGRM5KDM4E
SCHEMBL1068961 0.77 KDM4E (0.64) CYP2A6CNR2WNT3AGRM5KDM4E
SCHEMBL23405927 0.76 FABP1 (0.63) WNT3AKDM4ELMNACYP1A2POLB
SCHEMBL20641476 0.76 RAB9A (0.66) GRM5KDM4E
SCHEMBL23405932 0.76 GRM5 (0.64) CNR2WNT3AGRM5KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023196975-A1 COMPOUNDS THAT INTERACT WITH RAS SUPERFAMILY PROTEINS FOR TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, LLC (US) 2023-10-12 WO disclosed
US-20230212138-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND THEIR USE AKEBIA THERAPEUTICS, INC. (US) 2023-07-06 US disclosed
US-20230212138-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND THEIR USE AKEBIA THERAPEUTICS, INC. (US) 2023-07-06 US disclosed
US-20230212138-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND THEIR USE AKEBIA THERAPEUTICS, INC. (US) 2023-07-06 US disclosed
EP-4121424-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND THEIR USE Akebia Therapeutics Inc. (US) 2023-01-25 EP disclosed
WO-2021188944-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND THEIR USE AKEBIA THERAPEUTICS, INC. (US) 2021-09-23 WO disclosed
US-4351941-A Pyridinyl-pyridines STERLING DRUG INC. (US) 1982-09-28 US disclosed
US-4331672-A 5-(Pyridinyl)pyridine-2-hydrazines, their preparation and their cardiotonic use STERLING DRUG INC. (US) 1982-05-25 US disclosed
US-4331672-A 5-(Pyridinyl)pyridine-2-hydrazines, their preparation and their cardiotonic use STERLING DRUG INC. (US) 1982-05-25 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 (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-20230212138-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND THEIR USE HIF1AN, EGLN3, EGLN2 CYP2A6 2431/4885CNR2 3741/4885WNT3A 4095/4885

“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.