SCHEMBL1128943

SCHEMBL1128943

Brc1ccc2nn(Cc3ccccc3)cc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.50
ERBB2 P04626 1/20 0.47
KDM4C Q9H3R0 1/20 0.44
HDAC6 Q9UBN7 1/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ADORA3 P0DMS8 4/20 0.42
ADORA2A P29274 2/20 0.42
ADORA1 P30542 2/20 0.42
PARP1 P09874 1/20 0.42
ESR1 P03372 1/20 0.41
MEN1 O00255 2/20 0.40
GALR3 O60755 1/20 0.40
GAA P10253 1/20 0.40
NPY1R P25929 1/20 0.40
STAT3 P40763 1/20 0.40
NPY2R P49146 1/20 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
SCHEMBL1129177 0.88 KDM4C (0.44) HDAC8ERBB2KDM4CMAPTKMT2A
SCHEMBL9917430 0.86 HDAC6 (0.57) HDAC8ERBB2HDAC6MAPTKMT2A
SCHEMBL1129002 0.85 HDAC8 (0.48) HDAC8ERBB2HDAC6KMT2AALDH1A1
SCHEMBL16772292 0.85 SMN1; SMN2 (0.45) HDAC8ERBB2HDAC6KMT2AMEN1
SCHEMBL20680673 0.82 HDAC6 (0.42) HDAC8ERBB2KDM4CHDAC6ALDH1A1
SCHEMBL662061 0.81 IDO1 (0.45) ERBB2HDAC6MAPTKMT2AALDH1A1
SCHEMBL17602097 0.81 ESR2 (0.56) ERBB2KDM4CHDAC6LMNAALDH1A1
SCHEMBL14327125 0.81 ERBB2 (0.45) HDAC8ERBB2KDM4CHDAC6MAPT
SCHEMBL13042 0.81 NPC1 (0.50) ERBB2KDM4CMAPTKMT2ALMNA
SCHEMBL8553183 0.81 ADORA2A (0.48) ERBB2KDM4CHDAC6MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240254093-A1 GPR35 Agonist Compounds NXERA PHARMA UK LIMITED (GB) 2024-08-01 US disclosed
EP-4326708-A1 GPR35 AGONIST COMPOUNDS Heptares Therapeutics Limited (GB) 2024-02-28 EP disclosed
CN-117529472-A GPR35 agonist compounds 赫普泰雅治疗有限公司 2024-02-06 CN disclosed
WO-2022224212-A1 GPR35 AGONIST COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2022-10-27 WO disclosed
WO-2022224212-A1 GPR35 AGONIST COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2022-10-27 WO disclosed
US-20150368278-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2015-12-24 US disclosed
US-8957049-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-02-17 US disclosed
CN-102046179-B Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS INC 2015-01-14 CN disclosed
US-8431695-B2 Pyrrolo[2,1-f][1,2,4]triazin-4-ylamines IGF-1R kinase inhibitors for the treatment of cancer and other hyperproliferative diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-04-30 US disclosed
US-8431695-B2 Pyrrolo[2,1-f][1,2,4]triazin-4-ylamines IGF-1R kinase inhibitors for the treatment of cancer and other hyperproliferative diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-04-30 US disclosed
US-20110294776-A1 Pyrrolo[2,1-F] [1,2,4] Triazin-4-Ylamines IGF-1R Kinase Inhibitors for the Treatment of Cancer and Other Hyperproliferative Diseases BAYER HEALTHCARE AG (DE) 2011-12-01 US disclosed
US-20110294776-A1 Pyrrolo[2,1-F] [1,2,4] Triazin-4-Ylamines IGF-1R Kinase Inhibitors for the Treatment of Cancer and Other Hyperproliferative Diseases BAYER HEALTHCARE AG (DE) 2011-12-01 US disclosed
US-20110294776-A1 Pyrrolo[2,1-F] [1,2,4] Triazin-4-Ylamines IGF-1R Kinase Inhibitors for the Treatment of Cancer and Other Hyperproliferative Diseases BAYER HEALTHCARE AG (DE) 2011-12-01 US disclosed
US-20110172186-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. 2011-07-14 US disclosed
CN-102046179-A Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS INC 2011-05-04 CN disclosed
EP-2282742-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE Infinity Pharmaceuticals, Inc. (US) 2011-02-16 EP disclosed
WO-2009126691-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC (US) 2009-10-15 WO disclosed
EP-1945222-A2 PYRROLO[2,1-F] [1,2,4] TRIAZIN-4-YLAMINES IGF-1R KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER HYPERPROLIFERATIVE DISEASES Bayer HealthCare AG (DE) 2008-07-23 EP disclosed
WO-2007056170-A2 PYRROLO[2,1-F] [1,2,4] TRIAZIN-4-YLAMINES IGF-1R KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER HYPERPROLIFERATIVE DISEASES BAYER HEALTHCARE AG (DE) 2007-05-18 WO disclosed
WO-2007056170-A2 PYRROLO[2,1-F] [1,2,4] TRIAZIN-4-YLAMINES IGF-1R KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER HYPERPROLIFERATIVE DISEASES BAYER HEALTHCARE AG (DE) 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-20240254093-A1 GPR35 Agonist Compounds GPR35, GPR119, GPR68 HDAC8 1207/4885ERBB2 1126/4885KDM4C 4669/4885
US-20110172186-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 HDAC8 769/4885ERBB2 2259/4885KDM4C 1813/4885
US-20110294776-A1 Pyrrolo[2,1-F] [1,2,4] Triazin-4-Ylamines IGF-1R Kinase Inhibitors for the Treatment of Cancer and Other Hyperproliferative Diseases IGF1R, FGFR1, IGFBP1 HDAC8 1757/4885ERBB2 10/4885KDM4C 1593/4885
US-20150368278-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 HDAC8 769/4885ERBB2 2259/4885KDM4C 1813/4885

“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.