SCHEMBL5250642

SCHEMBL5250642

CCCn1nc(C)cc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
KDM4E B2RXH2 3/20 0.46
MAPT P10636 3/20 0.43
APAF1 O14727 1/20 0.42
POLB P06746 1/20 0.42
GRN P28799 2/20 0.42
SORT1 Q99523 2/20 0.42
HCAR3 P49019 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HTT P42858 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
PKM P14618 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
STING1 Q86WV6 1/20 0.38
GLS O94925 1/20 0.38

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
SCHEMBL3614239 0.90 KDM4E (0.51) LMNAKDM4EMAPTAPAF1POLB
SCHEMBL4754841 0.88 KDM4E (0.50) LMNAKDM4EMAPTAPAF1POLB
SCHEMBL30970919 0.86 GAA (0.49) LMNAKDM4EMAPTAPAF1POLB
SCHEMBL710008 0.85 MAPT (0.56) LMNAKDM4EMAPTAPAF1POLB
SCHEMBL21790363 0.84 LMNA (0.46) LMNAKDM4EMAPTAPAF1POLB
Hydrochloric Acid SCHEMBL8048126 0.84 MAPT (0.55) LMNAKDM4EMAPTAPAF1POLB
SCHEMBL23115836 0.83 KDM4E (0.51) LMNAKDM4EMAPTAPAF1POLB
SCHEMBL18718147 0.81 SMN1; SMN2 (0.47) LMNAKDM4EMAPTPOLBALDH1A1
SCHEMBL2518853 0.81 HCAR3 (0.45) LMNAKDM4EMAPTAPAF1POLB
SCHEMBL29308617 0.81 GRN (0.41) KDM4EGRNSORT1HCAR3ADORA2A

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112351778-B Fused tricyclic heterocycles and therapeutic uses thereof 江苏恒瑞医药股份有限公司 2023-04-04 CN disclosed
US-11535633-B2 Fused tricyclic heterocycle compounds and therapeutic uses thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2022-12-27 US disclosed
US-11535633-B2 Fused tricyclic heterocycle compounds and therapeutic uses thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2022-12-27 US disclosed
US-11365190-B2 Heterocyclic amides useful as protein modulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-06-21 US disclosed
US-20210300944-A1 FUSED TRICYCLIC HETEROCYCLE COMPOUNDS AND THERAPEUTIC USES THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2021-09-30 US disclosed
US-20210300944-A1 FUSED TRICYCLIC HETEROCYCLE COMPOUNDS AND THERAPEUTIC USES THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2021-09-30 US disclosed
US-20210139473-A1 HETEROCYCLIC AMIDES USEFUL AS PROTEIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-05-13 US disclosed
CN-112351778-A Fused tricyclic heterocycles and therapeutic uses thereof 江苏恒瑞医药股份有限公司 2021-02-09 CN disclosed
WO-2020132566-A1 STING PYRAZOLE AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 WO disclosed
WO-2020132566-A1 STING PYRAZOLE AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 WO disclosed
EP-1614683-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2006-01-11 EP disclosed
US-20050124662-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS. INC. 2005-06-09 US disclosed
US-6891044-B2 Indazole compounds and pharmaceutical compositions for Inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2005-05-10 US disclosed
US-6884890-B2 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2005-04-26 US disclosed
US-20040220248-A1 INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE KANIA ROBERT STEVEN (US) 2004-11-04 US disclosed
US-20040171634-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, LLC 2004-09-02 US disclosed
US-6534524-B1 Antiproliferative agents, including axitinib AGOURON PHARMACEUTICALS, INC. 2003-03-18 US disclosed
US-6531491-B1 Methods of treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation, such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, and psoriasis, AGOURON PHARAMACEUTICALS, INC. 2003-03-11 US disclosed
EP-1218348-A2 INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. (US) 2002-07-03 EP disclosed
WO-2001002369-A2 INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. (US) 2001-01-11 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 (7 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-20040171634-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use CDK3, BRAF, ROCK1 LMNA 3648/4885KDM4E 2368/4885MAPT 812/4885
US-11535633-B2 Fused tricyclic heterocycle compounds and therapeutic uses thereof STING1, CGAS, MAVS LMNA 139/4885KDM4E 3980/4885MAPT 4299/4885
US-11365190-B2 Heterocyclic amides useful as protein modulators RB1, RBBP5, RCC2 LMNA 4217/4885KDM4E 2480/4885MAPT 494/4885
US-20050124662-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use CDK3, BRAF, ROCK1 LMNA 3648/4885KDM4E 2368/4885MAPT 812/4885
US-20210139473-A1 HETEROCYCLIC AMIDES USEFUL AS PROTEIN MODULATORS RB1, RBBP5, RCC2 LMNA 4217/4885KDM4E 2480/4885MAPT 494/4885
US-20040220248-A1 INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE CDK3, BRAF, ROCK1 LMNA 3648/4885KDM4E 2368/4885MAPT 812/4885
US-20210300944-A1 FUSED TRICYCLIC HETEROCYCLE COMPOUNDS AND THERAPEUTIC USES THEREOF STING1, CGAS, MAVS LMNA 139/4885KDM4E 3980/4885MAPT 4299/4885

“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.