SCHEMBL213827

SCHEMBL213827

CC(Br)c1ccccc1C(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.67
ACP3 P15309 1/20 0.43
HSD11B1 P28845 5/20 0.40
CNR2 P34972 2/20 0.39
MC4R P32245 1/20 0.38
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
TDP1 Q9NUW8 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MPO P05164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A4 P31645 1/20 0.35

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
SCHEMBL30062302 1.00 P2RX7 (0.67) P2RX7ACP3HSD11B1CNR2MC4R
Ammonia Solution, Strong SCHEMBL27704288 0.98 P2RX7 (0.65) P2RX7ACP3HSD11B1CNR2MC4R
SCHEMBL27378979 0.89 P2RX7 (0.60) P2RX7ACP3HSD11B1CNR2TDP1
SCHEMBL1047625 0.83 P2RX7 (0.52) P2RX7ACP3HSD11B1CNR2MC4R
SCHEMBL8911591 0.83 P2RX7 (0.47) P2RX7ACP3HSD11B1CNR2MC4R
SCHEMBL84477 0.82 P2RX7 (0.50) P2RX7ACP3HSD11B1CNR2MC4R
SCHEMBL30705308 0.82 P2RX7 (0.50) P2RX7ACP3HSD11B1CNR2MC4R
SCHEMBL9242031 0.82 P2RX7 (0.50) P2RX7ACP3HSD11B1CNR2MC4R
SCHEMBL27669507 0.82 P2RX7 (0.50) P2RX7TDP1ALDH1A1
SCHEMBL28000645 0.82 P2RX7 (0.66) P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260000642-A1 PYRROLES AND IMIDAZOLES AS BET PROTEIN INHIBITORS TAY THERAPEUTICS LTD (GB) 2026-01-01 US disclosed
US-20250263370-A1 PYRROLES AND IMIDAZOLES AS BET PROTEIN INHIBITORS Tay Therapeutics Limited (GB) 2025-08-21 US disclosed
EP-3976617-B1 FUSED HETEROCYCLIC DERIVATIVES JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2025-04-23 EP disclosed
WO-2024018423-A1 PYRROLES AND IMIDAZOLES AS BET PROTEIN INHIBITORS Tay Therapeutics Limited (GB) 2024-01-25 WO disclosed
US-11773091-B2 6-5 fused rings as C5a inhibitors CHEMOCENTRYX, INC. (US) 2023-10-03 US disclosed
US-11773091-B2 6-5 fused rings as C5a inhibitors CHEMOCENTRYX, INC. (US) 2023-10-03 US disclosed
US-20230151002-A1 6-5 FUSED RINGS AS C5a INHIBITORS CHEMOCENTRYX, INC. 2023-05-18 US disclosed
US-20230151002-A1 6-5 FUSED RINGS AS C5a INHIBITORS CHEMOCENTRYX, INC. 2023-05-18 US disclosed
CN-110997674-B 6-5 fused rings as C5a inhibitors 凯莫森特里克斯股份有限公司 2022-12-20 CN disclosed
EP-3630775-B1 6-5 FUSED RINGS AS C5a INHIBITORS CHEMOCENTRYX INC (US) 2022-12-14 EP disclosed
WO-2006021884-A2 ENANTIOMERICALLY PURE AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS PFIZER INC. (US) 2006-03-02 WO disclosed
US-20060046991-A1 Crizotinib, a c-Met protein kinase inhibitor anticancer agent; 3-[(R)-1-(2,6-dichloro-3-fluoro-phenyl)-ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)-pyridin-2-ylamine is crizotinib AGOURON PHARMACEUTICALS, INC. 2006-03-02 US disclosed
EP-1603570-A2 AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS Sugen, Inc. (US) 2005-12-14 EP disclosed
WO-2005054179-A2 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2005-06-16 WO disclosed
WO-2005009104-A2 BENZOIC AND PHENYL ACETIC ACID DERIVATIVES AS HNF-4 MODULATORS LIGAND PHARMACUETICALS INCORPORATED (US) 2005-02-03 WO disclosed
US-20050009840-A1 2-amino- pyridines and pyrazines additionally substituted witn one or more carbocyclic or heterocyclic groups, e.g., 4-[6-amino-5-(2,6-dichloro-benzyloxy)-pyridin-3-yl]-phenol, for treating many kinds of cancer SUGEN, INC. 2005-01-13 US disclosed
WO-2004076412-A2 AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS SUGEN, INC. (US) 2004-09-10 WO disclosed
US-5726172-A BENZOXAZINONE DERIVATIVES; TREATMENT OF PRETERM LABOR, DYSMENORRHEA MERCK & CO., INC. (US) 1998-03-10 US disclosed
WO-1997025992-A1 TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-07-24 WO disclosed
US-5026729-A Lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1991-06-25 US 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-20230151002-A1 6-5 FUSED RINGS AS C5a INHIBITORS C5AR1, C5AR2, C3AR1 P2RX7 206/4885ACP3 2358/4885HSD11B1 4590/4885
US-20060046991-A1 Crizotinib, a c-Met protein kinase inhibitor anticancer agent; 3-[(R)-1-(2,6-dichloro-3-fluoro-phenyl)-ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)-pyridin-2-ylamine is crizotinib ALK, MET, ERBB2 P2RX7 4035/4885ACP3 2182/4885HSD11B1 4250/4885
US-11773091-B2 6-5 fused rings as C5a inhibitors C5AR1, C5AR2, C3AR1 P2RX7 206/4885ACP3 2358/4885HSD11B1 4590/4885
US-20260000642-A1 PYRROLES AND IMIDAZOLES AS BET PROTEIN INHIBITORS BET1, BRD4, PHKB P2RX7 3003/4885ACP3 4389/4885HSD11B1 3104/4885
US-20050009840-A1 2-amino- pyridines and pyrazines additionally substituted witn one or more carbocyclic or heterocyclic groups, e.g., 4-[6-amino-5-(2,6-dichloro-benzyloxy)-pyridin-3-yl]-phenol, for treating many kinds of cancer MET, ERBB2, CDK4 P2RX7 2802/4885ACP3 3388/4885HSD11B1 4690/4885
US-20250263370-A1 PYRROLES AND IMIDAZOLES AS BET PROTEIN INHIBITORS BET1, PHKB, BRD4 P2RX7 3433/4885ACP3 1389/4885HSD11B1 4222/4885

“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.