SCHEMBL17112798

SCHEMBL17112798

BrCc1ccc(C2CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 10/20 0.42
ESR1 P03372 6/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
SPHK1 Q9NYA1 4/20 0.42
TRPA1 O75762 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 1/20 0.39
CYP2D6 P10635 1/20 0.37
TEAD1 P28347 1/20 0.36
LSS P48449 1/20 0.36
ALOX5 P09917 1/20 0.36
SPHK2 Q9NRA0 1/20 0.36

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
SCHEMBL15449220 0.89 ESR2 (0.57) ESR2ESR1CYP3A4CYP2C9SPHK1
SCHEMBL4163040 0.89 HAO1 (0.42) ALDH1A1
SCHEMBL6025883 0.85 HRH3 (0.41) ESR2ESR1CYP3A4CYP2C9SPHK1
SCHEMBL15437191 0.84 HTR2C (0.36) ESR2ESR1CYP3A4CYP2C9SPHK1
SCHEMBL15437190 0.84 HTR2C (0.36) ESR2ESR1CYP3A4CYP2C9SPHK1
SCHEMBL7209680 0.83 CYP2C9 (0.56) ESR2ESR1CYP3A4CYP2C9SPHK1
SCHEMBL8995561 0.82 ESR2 (0.44) ESR2ESR1CYP3A4CYP2C9SPHK1
SCHEMBL9347952 0.79 SPHK1 (0.50) ESR2CYP2C9SPHK1ALDH1A1SPHK2
SCHEMBL12994097 0.79 CYP2C9 (0.52) ESR2ESR1CYP3A4CYP2C9SPHK1
SCHEMBL3272715 0.79 CYP2C9 (0.52) ESR2ESR1CYP3A4CYP2C9SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4692085-A2 PROSTAGLANDIN EP4 RECEPTOR ANTAGONIST COMPOUNDS Nxera Pharma UK Limited (GB) 2026-02-11 EP disclosed
EP-4041388-B1 PROSTAGLANDIN EP4 RECEPTOR ANTAGONIST COMPOUNDS NXERA PHARMA UK LTD (GB) 2025-11-26 EP disclosed
EP-4638436-A1 PRMT5 INHIBITORS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2025-10-29 EP disclosed
EP-4562015-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME Cedilla Therapeutics, Inc. (US) 2025-06-04 EP disclosed
US-12109213-B2 Fused heterotricyclic organic compounds, pharmaceutical compositions, and medical uses thereof ALEVERE MEDICAL CORPORATION (US) 2024-10-08 US disclosed
US-20240294498-A1 FACTOR XIIA INHIBITORS LUNAC THERAPEUTICS LTD (GB) 2024-09-05 US disclosed
US-20240254118-A1 PRMT5 INHIBITORS AND USES THEREOF GILEAD SCIENCES, INC. 2024-08-01 US disclosed
WO-2024026481-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed
CN-117164529-A EP2 and EP4 antagonists 武汉人福创新药物研发中心有限公司 2023-12-05 CN disclosed
EP-3894410-B1 SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2023-10-11 EP disclosed
CN-106164076-B Compound as ROS1 inhibitor 詹森药业有限公司 2019-03-26 CN disclosed
EP-3129376-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AND 5,6,7,8-TETRAHYDRO-4H-PYRAZOLO[1,5-A][1,4]DIAZEPINE DERIVATIVES AS ROS1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2018-12-26 EP disclosed
US-10058553-B2 Fused heterotricyclic organic coumpounds, pharmaceutical compositions, and medical uses thereof ALEVERE MEDICAL CORPORATION (US) 2018-08-28 US disclosed
US-20170174690-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-a]PYRAZINE DERIVATIVES AND 5,6,7,8-TETRAHYDRO-4H-PYRAZOLO[1,5-a][1,4]DIAZEPINE DERIVATIVES AS ROS1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-06-22 US disclosed
US-20170174690-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-a]PYRAZINE DERIVATIVES AND 5,6,7,8-TETRAHYDRO-4H-PYRAZOLO[1,5-a][1,4]DIAZEPINE DERIVATIVES AS ROS1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-06-22 US disclosed
US-20170174690-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-a]PYRAZINE DERIVATIVES AND 5,6,7,8-TETRAHYDRO-4H-PYRAZOLO[1,5-a][1,4]DIAZEPINE DERIVATIVES AS ROS1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-06-22 US disclosed
EP-3129376-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AND 5,6,7,8-TETRAHYDRO-4H-PYRAZOLO[1,5-A][1,4]DIAZEPINE DERIVATIVES AS ROS1 INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2017-02-15 EP disclosed
US-20160339029-A1 FUSED HETEROTRICYCLIC ORGANIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND MEDICAL USES THEREOF ALEVERE MEDICAL CORPORATION 2016-11-24 US disclosed
WO-2015144799-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-a]PYRAZINE DERIVATIVES AND 5,6,7,8-TETRAHYDRO-4H-PYRAZOLO[1,5-a][1,4]DIAZEPINE DERIVATIVES AS ROS1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-10-01 WO disclosed
WO-2015144799-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-a]PYRAZINE DERIVATIVES AND 5,6,7,8-TETRAHYDRO-4H-PYRAZOLO[1,5-a][1,4]DIAZEPINE DERIVATIVES AS ROS1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-10-01 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 (6 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-10058553-B2 Fused heterotricyclic organic coumpounds, pharmaceutical compositions, and medical uses thereof HSD17B4, FABP4, CYP4A22 ESR2 2397/4885ESR1 2563/4885CYP3A4 28/4885
US-12109213-B2 Fused heterotricyclic organic compounds, pharmaceutical compositions, and medical uses thereof FABP4, HSD17B4, LIPC ESR2 2976/4885ESR1 2680/4885CYP3A4 114/4885
US-20160339029-A1 FUSED HETEROTRICYCLIC ORGANIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND MEDICAL USES THEREOF FABP4, HSD17B4, LIPC ESR2 2976/4885ESR1 2680/4885CYP3A4 114/4885
US-20240254118-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT9 ESR2 2790/4885ESR1 4149/4885CYP3A4 4498/4885
US-20240294498-A1 FACTOR XIIA INHIBITORS F11, F13B, F7 ESR2 2471/4885ESR1 4259/4885CYP3A4 350/4885
US-20170174690-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-a]PYRAZINE DERIVATIVES AND 5,6,7,8-TETRAHYDRO-4H-PYRAZOLO[1,5-a][1,4]DIAZEPINE DERIVATIVES AS ROS1 INHIBITORS ROS1, NOX1, NOX5 ESR2 1900/4885ESR1 2954/4885CYP3A4 132/4885

“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.