SCHEMBL29529439

SCHEMBL29529439

COc1cc(C(C)C)c(Oc2cnc(NC(CO)CO)nc2N)cc1I

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 20/20 1.00
P2RX2 Q9UBL9 20/20 1.00

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
SCHEMBL4970553 1.00 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL5004765 0.92 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL5009655 0.92 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL19364044 0.92 P2RX3 (0.84) P2RX3P2RX2
SCHEMBL4968747 0.88 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL5004772 0.86 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL1493948 0.86 P2RX3 (0.75) P2RX3P2RX2
SCHEMBL1493943 0.86 P2RX3 (0.75) P2RX3P2RX2
SCHEMBL5004776 0.86 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL3922732 0.85 P2RX3 (1.00) P2RX3P2RX2

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
WO-2025229484-A1 PURINERGIC P2 RECEPTOR ANTAGONISTS FOR USE IN THE TREATMENT OF CONGENITAL SIDEROBLASTIC ANEMIAS UNIVERSITÀ DEGLI STUDI DI BARI ALDO MORO (IT) 2025-11-06 WO claimed
EP-4426280-B1 PROTECTION AGAINST ARTHROPOD PARASITES WITH PURINERGIC RECEPTOR (OPR) ANTAGONISTS GURBA ALEXANDRE (CH) 2026-03-18 EP disclosed
US-20260070915-A1 SUBSTITUTED 7H-PYRROLO[2,3-D]PYRIMIDIN-2-AMINES AS SELECTIVE CDK2/4 INHIBITORS INCYTE CORP (US) 2026-03-12 US disclosed
WO-2025229484-A1 PURINERGIC P2 RECEPTOR ANTAGONISTS FOR USE IN THE TREATMENT OF CONGENITAL SIDEROBLASTIC ANEMIAS UNIVERSITÀ DEGLI STUDI DI BARI ALDO MORO (IT) 2025-11-06 WO disclosed
CN-119676861-A Communication method, device and storage medium 展讯半导体(南京)有限公司 2025-03-21 CN disclosed
US-20250057791-A1 PROTECTION AGAINST ARTHROPOD PARASITES WITH PURINERGIC RECEPTOR (OPR) ANTAGONISTS GURBA ALEXANDRE (CH) 2025-02-20 US disclosed
US-20240408211-A1 COMPOSITIONS AND METHODS OF AMELIORATING AVERSIVENESS OF AVERSIVE STIMULI BY INHIBITION OF PURINERGIC RECEPTORS BRESLIN PAUL (US) 2024-12-12 US disclosed
CN-118741746-A Communication method and related device 展讯半导体(南京)有限公司 2024-10-01 CN disclosed
EP-4426280-A1 PROTECTION AGAINST ARTHROPOD PARASITES WITH PURINERGIC RECEPTOR (OPR) ANTAGONISTS Gurba, Alexandre (CH) 2024-09-11 EP disclosed
US-20240084305-A1 MODULATORS OF CELL PROLIFERATION AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-03-14 US disclosed
WO-2023111938-A1 PROTECTION AGAINST ARTHROPOD PARASITES WITH PURINERGIC RECEPTOR (OPR) ANTAGONISTS GURBA, Alexandre (CH) 2023-06-22 WO disclosed
EP-4197533-A1 PROTECTION AGAINST ARTHROPOD PARASITES WITH PURINERGIC RECEPTOR (OPR) ANTAGONISTS Guerin, Patrick (CH) 2023-06-21 EP disclosed
US-20230013419-A1 ANALOGUES OF 3-(5-METHYL-1,3-THIAZOL-2-YL)-N-{(1R)-1-[2-(TRIFLUORO-METHYL)PYRIMIDIN-5-YL]ETHYL}BENZAMIDE BAYER AKTIENGESELLSCHAFT (DE) 2023-01-19 US disclosed
US-20230001008-A1 COMPOSITIONS AND METHODS FOR TARGETING CELLULAR MOLECULES KUMQUAT BIOSCIENCES INC. 2023-01-05 US disclosed
WO-2022253943-A1 CRYSTALLINE FORMS OF 3-(5-METHYL-1,3-THIAZOL-2-YL)-5-[(3R)-TETRAHYDROFURAN-3-YLOXY]-N-{(1R)-1-[2-(TRIFLUORO-METHYL)PYRIMIDIN-5-YL]ETHYL}-BENZAMIDE BAYER AKTIENGESELLSCHAFT (DE) 2022-12-08 WO disclosed
WO-2022175514-A1 N-(PYRIDIN-2-YL)-ACETAMIDES AS P2X3 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2022-08-25 WO disclosed
US-20220160714-A1 METHODS FOR TREATING COLORECTAL CANCER ICAHN SCHOOL MED MOUNT SINAI (US) 2022-05-26 US disclosed
EP-3990453-A1 ANALOGUES OF 3-(5-METHYL-1,3-THIAZOL-2-YL)-N-{(1R)-1-[2-(TRIFLUORO-METHYL)PYRIMIDIN-5-YL]ETHYL}BENZAMIDE Bayer Aktiengesellschaft (DE) 2022-05-04 EP disclosed
WO-2022076917-A1 MODULATORS OF CELL PROLIFERATION AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2022-04-14 WO disclosed
US-11278504-B1 Treatment of a lionfish sting and formulations for use thereof PTERO TECH INC. (CA) 2022-03-22 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 (7 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-20230001008-A1 COMPOSITIONS AND METHODS FOR TARGETING CELLULAR MOLECULES CD2BP2, CD47, CD74 P2RX3 4435/4885P2RX2 4446/4885
US-20260070915-A1 SUBSTITUTED 7H-PYRROLO[2,3-D]PYRIMIDIN-2-AMINES AS SELECTIVE CDK2/4 INHIBITORS CDK4, CDK2, CCNC P2RX3 3938/4885P2RX2 3991/4885
US-11278504-B1 Treatment of a lionfish sting and formulations for use thereof P2RX3, P2RX7, P2RX5 P2RX3 1/4885P2RX2 6/4885
US-20240408211-A1 COMPOSITIONS AND METHODS OF AMELIORATING AVERSIVENESS OF AVERSIVE STIMULI BY INHIBITION OF PURINERGIC RECEPTORS P2RX3, P2RX2, P2RX6 P2RX3 1/4885P2RX2 2/4885
US-20240084305-A1 MODULATORS OF CELL PROLIFERATION AND USES THEREOF MKI67, MYC, CCNK P2RX3 4562/4885P2RX2 4240/4885
US-20230013419-A1 ANALOGUES OF 3-(5-METHYL-1,3-THIAZOL-2-YL)-N-{(1R)-1-[2-(TRIFLUORO-METHYL)PYRIMIDIN-5-YL]ETHYL}BENZAMIDE P2RX3, P2RX5, P2RX1 P2RX3 1/4885P2RX2 4/4885
US-20250057791-A1 PROTECTION AGAINST ARTHROPOD PARASITES WITH PURINERGIC RECEPTOR (OPR) ANTAGONISTS P2RX2, P2RX3, P2RX1 P2RX3 2/4885P2RX2 1/4885

“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.