SCHEMBL1509484

SCHEMBL1509484

COC(=O)c1cc(N)c(N)cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.52
ALDH1A1 P00352 6/20 0.50
GAA P10253 5/20 0.50
HSD17B10 Q99714 4/20 0.50
CFTR P13569 3/20 0.50
HPGD P15428 3/20 0.50
MAPT P10636 2/20 0.50
GLA P06280 2/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
ATM Q13315 1/20 0.50
ABL1 P00519 1/20 0.49
TSHR P16473 3/20 0.47
ALOX15 P16050 1/20 0.47
POLB P06746 1/20 0.43
ILK Q13418 1/20 0.41
IKBKB O14920 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 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
SCHEMBL3529864 0.90 KDM4E (0.50) KDM4EALDH1A1GAAHSD17B10CFTR
SCHEMBL2900514 0.90 KDM4E (0.59) KDM4EALDH1A1GAAHSD17B10CFTR
SCHEMBL2080318 0.90 KDM4E (0.50) KDM4EALDH1A1GAAHSD17B10CFTR
SCHEMBL30221910 0.90 KDM4E (0.50) KDM4EALDH1A1GAAHSD17B10CFTR
SCHEMBL29813036 0.90 KDM4E (0.50) KDM4EALDH1A1GAAHSD17B10CFTR
SCHEMBL24338831 0.87 GAA (0.50) KDM4EALDH1A1GAAHSD17B10CFTR
SCHEMBL19833958 0.87 GAA (0.50) KDM4EALDH1A1GAAHSD17B10CFTR
SCHEMBL31430590 0.87 GAA (0.50) KDM4EALDH1A1GAAHSD17B10CFTR
SCHEMBL19175223 0.87 KDM4E (0.47) KDM4EALDH1A1GAAHSD17B10CFTR
SCHEMBL12164839 0.87 KDM4E (0.47) KDM4EALDH1A1GAAHSD17B10CFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024117179-A1 KIT INHIBITORS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF ALIVEXIS, INC. (JP) 2024-06-06 WO disclosed
WO-2024043741-A1 AUTOTAXIN INHIBITOR COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING SAME 주식회사 레고켐 바이오사이언스 2024-02-29 WO disclosed
US-20220227762-A1 AMIDE-SUBSTITUTED IMIDAZO COMPOUNDS AS SELECTIVE INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASES BEONE MEDICINES I GMBH (CH) 2022-07-21 US disclosed
CN-113891880-A Amide substituted imidazo compounds as selective inhibitors of indoleamine 2, 3-dioxygenase 百济神州有限公司 2022-01-04 CN disclosed
WO-2021222353-A1 MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2021-11-04 WO disclosed
WO-2020233677-A1 PROCESS FOR PREPARING AMIDE-SUBSTITUTED IMIDAZO COMPOUNDS BEIGENE (BEIJING) CO., LTD. (CN) 2020-11-26 WO disclosed
WO-2020233676-A1 AMIDE-SUBSTITUTED IMIDAZO COMPOUNDS AS SELECTIVE INHIBITORS OF INDOLEAMINE 2, 3-DIOXYGENASES BEIGENE, LTD. (KY) 2020-11-26 WO disclosed
EP-3294715-B1 BENZIMIDAZOLE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY KANCERA AB (SE) 2020-05-06 EP disclosed
EP-3294715-B1 BENZIMIDAZOLE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY KANCERA AB (SE) 2020-05-06 EP disclosed
US-20180110755-A1 BENZIMIDAZOLE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY KANCERA AB (SE) 2018-04-26 US disclosed
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 US disclosed
US-20120232056-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-09-13 US disclosed
EP-2298770-A1 Heterocyclic compounds as TrkA modulators ChemBridge Corporation (US) 2011-03-23 EP disclosed
EP-2298770-A1 Heterocyclic compounds as TrkA modulators ChemBridge Corporation (US) 2011-03-23 EP disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 US disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 US disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 US disclosed
EP-1960382-A1 HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE MODULATORS ChemBridge Research Laboratories, Inc. (US) 2008-08-27 EP disclosed
WO-2007056155-A1 HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE MODULATORS CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2007-05-18 WO disclosed
WO-2007056155-A1 HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE MODULATORS CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2007-05-18 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 (4 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-20180110755-A1 BENZIMIDAZOLE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY HDAC6, HDAC1, HDAC11 KDM4E 1211/4885ALDH1A1 448/4885GAA 138/4885
US-20120232056-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 KDM4E 3115/4885ALDH1A1 3714/4885GAA 306/4885
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders LCK, MALT1, MYD88 KDM4E 2432/4885ALDH1A1 2293/4885GAA 1581/4885
US-20220227762-A1 AMIDE-SUBSTITUTED IMIDAZO COMPOUNDS AS SELECTIVE INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASES IDO1, IDO2, AADAC KDM4E 491/4885ALDH1A1 604/4885GAA 566/4885

“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.