SCHEMBL2812969

SCHEMBL2812969

CCOC(=O)c1cc2cc(-c3ccccc3)ncc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.64
▸ KDM4E B2RXH2 4/20 0.64
▸ ALDH1A1 P00352 4/20 0.64
▸ NPC1 O15118 4/20 0.64
▸ HPGD P15428 3/20 0.64
▸ SMN1; SMN2 Q16637 3/20 0.64
▸ LMNA P02545 3/20 0.64
▸ MAPT P10636 2/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ GLA P06280 1/20 0.64
▸ GAA P10253 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ ATM Q13315 1/20 0.64
▸ MMP13 P45452 8/20 0.58
▸ MMP2 P08253 6/20 0.58
▸ MMP14 P50281 4/20 0.58
▸ HSD17B10 Q99714 1/20 0.55
▸ HRH3 Q9Y5N1 1/20 0.55
▸ HTT P42858 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL29721945 1.00 RAB9A (0.64) RAB9AKDM4EALDH1A1NPC1HPGD
SCHEMBL4395681 0.82 KDM4E (0.54) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL29721979 0.82 KDM4E (0.54) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL2108919 0.80 KDM4E (0.61) RAB9AKDM4EALDH1A1NPC1HPGD
SCHEMBL419130 0.80 MMP13 (0.77) RAB9AKDM4EALDH1A1NPC1HPGD
SCHEMBL9081991 0.79 KDM4E (0.59) RAB9AKDM4EALDH1A1NPC1HPGD
SCHEMBL22777811 0.79 KDM4E (0.51) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL29448120 0.79 KDM4E (0.51) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL5567460 0.79 KDM4E (1.00) RAB9AKDM4EALDH1A1NPC1HPGD
SCHEMBL4266823 0.78 KDM4E (0.58) RAB9AKDM4EALDH1A1NPC1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002372-A1 AZAINDOLE CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT INC (US) 2023-01-05 — — US disclosed
US-20230002372-A1 AZAINDOLE CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT INC (US) 2023-01-05 — — US disclosed
EP-4034108-A1 AZAINDOLE CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS The Global Alliance for TB Drug Development, Inc. (US) 2022-08-03 — — EP disclosed
WO-2021062316-A1 AZAINDOLE CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. (US) 2021-04-01 — — WO disclosed
WO-2021062316-A1 AZAINDOLE CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. (US) 2021-04-01 — — WO disclosed
US-20100249183-A1 THERAPEUTIC USE OF N-(ARYLALKYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDE DERIVATIVES SANOFI-AVENTIS (FR) 2010-09-30 — — US disclosed
US-7763636-B2 N-(arylalkyl)-1H-pyrrolopyridine-2-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-07-27 — — US disclosed
US-20080125459-A1 N-(ARYLALKYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-05-29 — — 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-20080125459-A1 N-(ARYLALKYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF CYP3A5, ZYX, ZDHHC2 RAB9A 1589/4885KDM4E 1484/4885ALDH1A1 208/4885
US-20230002372-A1 AZAINDOLE CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS AZI2, AADAC, TPMT RAB9A 1442/4885KDM4E 1203/4885ALDH1A1 675/4885
US-20100249183-A1 THERAPEUTIC USE OF N-(ARYLALKYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDE DERIVATIVES ZDHHC2, ZYX, GLS2 RAB9A 1911/4885KDM4E 1925/4885ALDH1A1 325/4885

“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.

Send feedback