SCHEMBL1648623

SCHEMBL1648623

OCC1CCN(c2ccncc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.53
ADRB2 P07550 1/20 0.53
NCF1 P14598 1/20 0.53
PLD1 Q13393 1/20 0.53
ITGB3 P05106 4/20 0.43
ITGA2B P08514 4/20 0.43
LSS P48449 2/20 0.43
KDM1A O60341 1/20 0.42
MAOB P27338 1/20 0.42
F10 P00742 2/20 0.42
HRH3 Q9Y5N1 3/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL7334686 0.86 MAPT (0.54) CHKAADRB2NCF1PLD1ITGB3
SCHEMBL7329597 0.83 CHKA (0.47) CHKAADRB2NCF1PLD1ITGB3
SCHEMBL5760023 0.81 CHKA (0.53) CHKAADRB2NCF1PLD1ITGB3
SCHEMBL5803729 0.81 CHKA (0.53) CHKAADRB2NCF1PLD1ITGB3
SCHEMBL4713972 0.81 CHKA (0.53) CHKAADRB2NCF1PLD1ITGB3
SCHEMBL4717561 0.81 CHKA (0.53) CHKAADRB2NCF1PLD1ITGB3
SCHEMBL785122 0.81 CHKA (0.53) CHKAADRB2NCF1PLD1KDM1A
SCHEMBL26627856 0.81 CHKA (0.53) CHKAADRB2NCF1PLD1ITGB3
SCHEMBL987932 0.81 MBTD1 (0.52) HRH3
Ammonia Solution, Strong SCHEMBL5844271 0.80 CHKA (0.52) CHKAADRB2NCF1PLD1ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4741386-A1 PYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Jiangsu Yahong Meditech Co., Ltd. (CN) 2026-05-13 EP disclosed
US-20250289799-A1 PYRIMIDINE COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL USE THEREOF JIANGSU YAHONG MEDITECH CO., LTD. (CN) 2025-09-18 US disclosed
EP-4516779-A1 PYRIMIDINE COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL USE THEREOF Jiangsu Yahong Meditech Co., Ltd. (CN) 2025-03-05 EP disclosed
WO-2025007777-A1 PYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 江苏亚虹医药科技股份有限公司 2025-01-09 WO disclosed
CN-118660872-A Pyrimidine compound, preparation method and medical application thereof 江苏亚虹医药科技股份有限公司 2024-09-17 CN disclosed
WO-2023208130-A1 PYRIMIDINE COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL USE THEREOF 江苏亚虹医药科技股份有限公司 2023-11-02 WO disclosed
CN-116496252-A Pyrimidine compound, preparation method and medical application thereof 江苏亚虹医药科技股份有限公司 2023-07-28 CN disclosed
US-20220289727-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2022-09-15 US disclosed
EP-4017850-A1 ENZYME INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2022-06-29 EP disclosed
CN-114258392-A Enzyme inhibitors 卡尔维斯塔制药有限公司 2022-03-29 CN disclosed
US-5563141-A INHIBIT CELL ADHESION FOR EXAMPLE, PLATELET AGGRE GATION ZENECA LIMITED (GB) 1996-10-08 US disclosed
US-5556977-A ANTIAGGLOMERANTS FOR CELLS, ANTICOAGULANTS, ANTIISCHEMIC AGENTS USING PYRIDINYLPIPERAZINE DERIVATIVES ZENECA LIMITED (GB) 1996-09-17 US disclosed
CN-1120334-A Heterocyclic derivatives as platelet aggregation inhibitors ZENECA LTD (GB) 1996-04-10 CN disclosed
EP-0691959-A1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-17 EP disclosed
EP-0690847-A1 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-10 EP disclosed
WO-1994022834-A1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO disclosed
WO-1994022835-A2 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO disclosed
US-5057528-A AMINO-PYRIDINE COMPOUNDS USEFUL AS ANTI-ARRHYTHMIC AGENTS PFIZER INC. (US) 1991-10-15 US disclosed
US-4968704-A PROLONG DURATION OF ACTION POTENTIAL IN CARDIAC MUSCLE AND CONDUCTING TISSUE PFIZER INC. (US) 1990-11-06 US disclosed
EP-0359389-A1 Antiarrhythmic agents Pfizer Limited (GB) 1990-03-21 EP 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 (2 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-20220289727-A1 ENZYME INHIBITORS SERPINB1, ACE, GAA CHKA 2511/4885ADRB2 1754/4885NCF1 1538/4885
US-20250289799-A1 PYRIMIDINE COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL USE THEREOF USP1, UPP1, UFL1 CHKA 3675/4885ADRB2 4175/4885NCF1 2221/4885

“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.