SCHEMBL20657964

SCHEMBL20657964

CCc1cc(=O)nc(-n2nc(C)cc2NC(=O)c2ccccc2F)[nH]1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADCY1 Q08828 16/20 0.75
▸ ADCY8 P40145 13/20 0.75
▸ HTR2B P41595 2/20 0.75
▸ NPSR1 Q6W5P4 4/20 0.68
▸ MEN1 O00255 3/20 0.68
▸ ALDH1A1 P00352 3/20 0.68
▸ HTT P42858 3/20 0.68
▸ KMT2A Q03164 3/20 0.68
▸ KDM4E B2RXH2 2/20 0.68
▸ POLB P06746 1/20 0.68
▸ HPGD P15428 1/20 0.68
▸ GAA P10253 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ MAPT P10636 2/20 0.55
▸ TDP1 Q9NUW8 2/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55

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
SCHEMBL23160963 0.90 ADCY1 (0.74) ADCY1ADCY8HTR2BNPSR1MEN1
SCHEMBL23160948 0.90 ADCY1 (0.74) ADCY1ADCY8HTR2BNPSR1MEN1
SCHEMBL20657980 0.89 NPSR1 (0.71) ADCY1ADCY8HTR2BNPSR1MEN1
SCHEMBL23160941 0.87 ADCY1 (0.71) ADCY1ADCY8HTR2BALDH1A1KDM4E
SCHEMBL22275973 0.85 ADCY1 (1.00) ADCY1ADCY8HTR2B
SCHEMBL23160937 0.85 ADCY1 (0.72) ADCY1ADCY8HTR2BMEN1KMT2A
SCHEMBL20673074 0.85 ADCY1 (0.72) ADCY1ADCY8HTR2BNPSR1MEN1
SCHEMBL20673091 0.85 ADCY1 (0.72) ADCY1ADCY8HTR2BNPSR1MEN1
SCHEMBL20657978 0.85 ADCY1 (0.74) ADCY1ADCY8HTR2B
SCHEMBL23160936 0.84 ADCY1 (0.73) ADCY1ADCY8HTR2B

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12414949-B2 Pyrazolyl pyrimidinone compounds and the uses thereof PURDUE RESEARCH FOUNDATION (US) 2025-09-16 — — US disclosed
US-20240083877-A1 NOVEL SCAFFOLD OF ADENYLYL CYCLASE INHIBITORS FOR CHRONIC PAIN AND OPIOID DEPENDENCE PURDUE RESEARCH FOUNDATION (US) 2024-03-14 — — US disclosed
US-20230293523-A1 PYRAZOLYL PYRIMIDINONE COMPOUNDS AND THE USES THEREOF PURDUE RESEARCH FOUNDATION (US) 2023-09-21 — — US disclosed
US-20230250084-A1 PYRAZOLYL PYRIMIDINONE COMPOUNDS AND THE USES THEREOF PURDUE RESEARCH FOUNDATION (US) 2023-08-10 — — US disclosed
US-11690844-B2 Pyrazolyl pyrimidinone compounds and the uses thereof PURDUE RESEARCH FOUNDATION (US) 2023-07-04 — — US disclosed
US-11667623-B2 Scaffold of adenylyl cyclase inhibitors for chronic pain and opioid dependence PURDUE RESEARCH FOUNDATION (US) 2023-06-06 — — US disclosed
US-11667623-B2 Scaffold of adenylyl cyclase inhibitors for chronic pain and opioid dependence PURDUE RESEARCH FOUNDATION (US) 2023-06-06 — — US disclosed
US-11667623-B2 Scaffold of adenylyl cyclase inhibitors for chronic pain and opioid dependence PURDUE RESEARCH FOUNDATION (US) 2023-06-06 — — US disclosed
US-20210100797-A1 PYRAZOLYL PYRIMIDINONE COMPOUNDS AND THE USES THEREOF PURDUE RESEARCH FOUNDATION (US) 2021-04-08 — — US disclosed
US-20200239447-A1 NOVEL SCAFFOLD OF ADENYLYL CYCLASE INHIBITORS FOR CHRONIC PAIN AND OPIOID DEPENDENCE PURDUE RESEARCH FOUNDATION (US) 2020-07-30 — — US disclosed
US-20200239447-A1 NOVEL SCAFFOLD OF ADENYLYL CYCLASE INHIBITORS FOR CHRONIC PAIN AND OPIOID DEPENDENCE PURDUE RESEARCH FOUNDATION (US) 2020-07-30 — — US disclosed
US-10662176-B2 Scaffold of adenylyl cyclase inhibitors for chronic pain and opioid dependence PURDUE RESEARCH FOUNDATION (US) 2020-05-26 — — US disclosed
US-10662176-B2 Scaffold of adenylyl cyclase inhibitors for chronic pain and opioid dependence PURDUE RESEARCH FOUNDATION (US) 2020-05-26 — — US disclosed
US-20190023688-A1 NOVEL SCAFFOLD OF ADENYLYL CYCLASE INHIBITORS FOR CHRONIC PAIN AND OPIOID DEPENDENCE PURDUE RESEARCH FOUNDATION (US) 2019-01-24 — — US disclosed
US-20190023688-A1 NOVEL SCAFFOLD OF ADENYLYL CYCLASE INHIBITORS FOR CHRONIC PAIN AND OPIOID DEPENDENCE PURDUE RESEARCH FOUNDATION (US) 2019-01-24 — — 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 (10 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-20200239447-A1 NOVEL SCAFFOLD OF ADENYLYL CYCLASE INHIBITORS FOR CHRONIC PAIN AND OPIOID DEPENDENCE CAP1, ADCY1, ADCYAP1R1 ADCY1 2/4885ADCY8 7/4885HTR2B 2025/4885
US-20240083877-A1 NOVEL SCAFFOLD OF ADENYLYL CYCLASE INHIBITORS FOR CHRONIC PAIN AND OPIOID DEPENDENCE CAP1, ADCY1, ADCYAP1R1 ADCY1 2/4885ADCY8 7/4885HTR2B 2025/4885
US-12414949-B2 Pyrazolyl pyrimidinone compounds and the uses thereof CAP1, ADCY1, ADCYAP1R1 ADCY1 2/4885ADCY8 9/4885HTR2B 1487/4885
US-20190023688-A1 NOVEL SCAFFOLD OF ADENYLYL CYCLASE INHIBITORS FOR CHRONIC PAIN AND OPIOID DEPENDENCE CAP1, ADCY1, ADCYAP1R1 ADCY1 2/4885ADCY8 7/4885HTR2B 2025/4885
US-11667623-B2 Scaffold of adenylyl cyclase inhibitors for chronic pain and opioid dependence CAP1, ADCY1, ADCYAP1R1 ADCY1 2/4885ADCY8 11/4885HTR2B 1794/4885
US-11690844-B2 Pyrazolyl pyrimidinone compounds and the uses thereof CAP1, ADCY1, ADCYAP1R1 ADCY1 2/4885ADCY8 9/4885HTR2B 1487/4885
US-20230250084-A1 PYRAZOLYL PYRIMIDINONE COMPOUNDS AND THE USES THEREOF CAP1, ADCY1, ADCYAP1R1 ADCY1 2/4885ADCY8 9/4885HTR2B 1487/4885
US-20230293523-A1 PYRAZOLYL PYRIMIDINONE COMPOUNDS AND THE USES THEREOF CAP1, ADCY1, ADCYAP1R1 ADCY1 2/4885ADCY8 9/4885HTR2B 1487/4885
US-20210100797-A1 PYRAZOLYL PYRIMIDINONE COMPOUNDS AND THE USES THEREOF CAP1, ADCY1, ADCYAP1R1 ADCY1 2/4885ADCY8 9/4885HTR2B 1487/4885
US-10662176-B2 Scaffold of adenylyl cyclase inhibitors for chronic pain and opioid dependence CAP1, ADCY1, ADCYAP1R1 ADCY1 2/4885ADCY8 11/4885HTR2B 1794/4885

“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.

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