SCHEMBL489913

SCHEMBL489913

COc1cccc(CBr)c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
IDO1 P14902 3/20 0.41
TAAR1 Q96RJ0 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
ALOX5 P09917 1/20 0.39
PTGS2 P35354 1/20 0.39

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
SCHEMBL29783095 1.00 HTR2A (0.48) HTR2AHTR2CIDO1TAAR1L3MBTL1
SCHEMBL1287466 0.83 HTR1A (0.37) HTR2AHTR2CCA2MAPTGAA
SCHEMBL8926 0.82 TAAR1 (0.52) HTR2AHTR2CIDO1TAAR1L3MBTL1
SCHEMBL29792655 0.82 TAAR1 (0.52) HTR2AHTR2CIDO1TAAR1L3MBTL1
SCHEMBL172225 0.82 HTR2A (0.46) HTR2AHTR2CIDO1TAAR1L3MBTL1
SCHEMBL2904854 0.81 IDO1 (0.55) IDO1TAAR1L3MBTL1CA12CA1
SCHEMBL16805903 0.81 GABRA1 (0.47) HTR2AHTR2CIDO1TAAR1L3MBTL1
SCHEMBL3533385 0.80 HTR2A (0.44) HTR2AHTR2CIDO1TAAR1L3MBTL1
Bromide SCHEMBL15741709 0.80 TAAR1 (0.50) HTR2AHTR2CIDO1TAAR1L3MBTL1
SCHEMBL422832 0.80 HTR2A (0.44) HTR2AHTR2CIDO1TAAR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4644390-A1 PROTEIN TYROSINE KINASE INHIBITOR AND MEDICAL USE THEREOF Beyang Therapeutics Co., Ltd. (CN) 2025-11-05 EP disclosed
US-20240409542-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2024-12-12 US disclosed
US-20240270695-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING DISORDERS J. MICHAEL BISHOP INSTITUTE OF CANCER RESEARCH (CN) 2024-08-15 US disclosed
WO-2024140850-A1 PROTEIN TYROSINE KINASE INHIBITOR AND MEDICAL USE THEREOF 苏州必扬医药科技有限公司 2024-07-04 WO disclosed
US-20240189306-A1 SHP2 INHIBITOR AND USE THEREOF KANAPH THERAPEUTICS INC. (KR) 2024-06-13 US disclosed
CN-118139864-A New compounds 西特瑞治疗有限公司 2024-06-04 CN disclosed
CN-117916242-A SHP2 inhibitors and uses thereof 治纳辅医药科技有限公司 2024-04-19 CN disclosed
CN-109069514-B Antibacterial compound and application thereof 结核病药物开发全球联盟公司 2023-12-29 CN disclosed
EP-4277897-A1 FUSED AZEPINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CANCER Chengdu Anticancer Bioscience, Ltd. (CN) 2023-11-22 EP disclosed
CN-116710442-A Compounds, compositions and methods for treating disorders 成都安泰康赛生物科技有限公司 2023-09-05 CN disclosed
EP-2802592-A1 SUBSTITUTED ANNULATED PYRIMIDINES AND TRIAZINES, AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2014-11-19 EP disclosed
WO-2013104703-A1 SUBSTITUTED ANNULATED PYRIMIDINES AND TRIAZINES, AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-07-18 WO disclosed
WO-2013104703-A1 SUBSTITUTED ANNULATED PYRIMIDINES AND TRIAZINES, AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-07-18 WO disclosed
EP-1527051-B1 PYRIMIDYL SULPHONE AMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2012-09-12 EP disclosed
US-8106063-B2 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2012-01-31 US disclosed
US-20100063079-A1 Pyrimidyl Sulphone Amide Derivatives as Chemokine Receptor Modulators ASTRAZENECA AB (SE) 2010-03-11 US disclosed
US-7582644-B2 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2009-09-01 US disclosed
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2006-02-02 US disclosed
EP-1527051-A1 PYRIMIDYL SULPHONE AMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS Astrazeneca AB (SE) 2005-05-04 EP disclosed
WO-2004011443-A1 PYRIMIDYL SULPHONE AMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2004-02-05 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 (5 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-20100063079-A1 Pyrimidyl Sulphone Amide Derivatives as Chemokine Receptor Modulators ACKR3, GPR17, CCL11 HTR2A 1669/4885HTR2C 1992/4885IDO1 708/4885
US-20240270695-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING DISORDERS CYP27A1, PNLIP, GOT2 HTR2A 1878/4885HTR2C 1661/4885IDO1 3404/4885
US-20240189306-A1 SHP2 INHIBITOR AND USE THEREOF PTPN1, PTPN5, PTPN2 HTR2A 4330/4885HTR2C 4638/4885IDO1 952/4885
US-20240409542-A1 NOVEL COMPOUNDS CD47, GPR119, LRBA HTR2A 4273/4885HTR2C 4316/4885IDO1 611/4885
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ACKR3, GPR17, CCL11 HTR2A 1669/4885HTR2C 1992/4885IDO1 708/4885

“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.