SCHEMBL25805641

SCHEMBL25805641

Clc1nc(Cl)c2[nH]ncc2n1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 4/20 0.39
▸ HTT P42858 1/20 0.38
▸ PTK2 Q05397 1/20 0.38
▸ DYRK1A Q13627 1/20 0.31

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
SCHEMBL29684443 1.00 NOS1 (0.39) NOS1HTTPTK2DYRK1A
SCHEMBL24553744 0.79 HTT (0.44) NOS1HTTPTK2
SCHEMBL4830696 0.79 NOS1 (0.37) NOS1HTTPTK2
SCHEMBL29863669 0.79 NOS1 (0.37) NOS1HTTPTK2
SCHEMBL4838398 0.79 NOS1 (0.37) NOS1HTTPTK2
SCHEMBL4106173 0.79 DPP4 (0.43) NOS1HTTPTK2
SCHEMBL29864632 0.75 NOS1 (0.34) NOS1HTTPTK2
SCHEMBL30774307 0.75 HTT (0.36) NOS1HTTPTK2
SCHEMBL22119097 0.75 HTT (0.36) NOS1HTTPTK2
SCHEMBL30097193 0.72 HTT (0.49) NOS1HTTDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260092053-A1 KHK INHIBITORS GILEAD SCIENCES INC (US) 2026-04-02 — — US disclosed
EP-4712964-A1 COMPOUNDS AND FORMULATIONS USEFUL AS VACCINE ADJUVANTS Merck Sharp & Dohme LLC (US) 2026-03-25 — — EP disclosed
US-20260078127-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 BOEHRINGER INGELHEIM INT (DE) 2026-03-19 — — US disclosed
EP-4681774-A2 KHK INHIBITORS Gilead Sciences, Inc. (US) 2026-01-21 — — EP disclosed
EP-4313967-B1 KHK INHIBITORS GILEAD SCIENCES INC (US) 2025-11-12 — — EP disclosed
US-12410160-B2 KHK inhibitors GILEAD SCIENCES, INC. (US) 2025-09-09 — — US disclosed
US-12398146-B2 Heterobicyclic amides as inhibitors of CD38 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2025-08-26 — — US disclosed
US-20250255948-A1 PNEUMOCOCCAL CONJUGATE VACCINES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC (US) 2025-08-14 — — US disclosed
US-20240390471-A1 COMPOUNDS AND ADJUVANT FORMULATIONS USEFUL IN PNEUMOCOCCAL VACCINES MERCK SHARP & DOHME LLC (US) 2024-11-28 — — US disclosed
WO-2024238735-A1 COMPOUNDS AND FORMULATIONS USEFUL AS VACCINE ADJUVANTS MERCK SHARP & DOHME LLC (US) 2024-11-21 — — WO disclosed
CN-117120429-A KHK inhibitor 吉利德科学公司 2023-11-24 — — CN disclosed
US-20230312586-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-10-05 — — US disclosed
US-20230219962-A1 PYRAZOLO[4,3-d]PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF CELLULAR PROLIFERATIVE DISORDERS MERCK SHARP & DOHME LLC (US) 2023-07-13 — — US disclosed
US-20230219962-A1 PYRAZOLO[4,3-d]PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF CELLULAR PROLIFERATIVE DISORDERS MERCK SHARP & DOHME LLC (US) 2023-07-13 — — US disclosed
US-20230219962-A1 PYRAZOLO[4,3-d]PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF CELLULAR PROLIFERATIVE DISORDERS MERCK SHARP & DOHME LLC (US) 2023-07-13 — — US disclosed
US-20230079863-A1 KHK INHIBITORS GILEAD SCIENCES, INC. 2023-03-16 — — US disclosed
US-11535621-B2 Heterobicyclic amides as inhibitors of CD38 RIBON THERAPEUTICS, INC. (US) 2022-12-27 — — US disclosed
WO-2022212194-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2022-10-06 — — WO disclosed
WO-2022174184-A1 PYRROLO[3,2-D]PYRIMIDINE COMPOUNDS AND METHODS OF USE IN THE TREATMENT OF CANCER TANGO THERAPEUTICS, INC. (US) 2022-08-18 — — WO disclosed
US-20210032251-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-02-04 — — 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 (11 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-20240390471-A1 COMPOUNDS AND ADJUVANT FORMULATIONS USEFUL IN PNEUMOCOCCAL VACCINES PHOSPHO1, NAPEPLD, PLA2G2E NOS1 1325/4885HTT 2899/4885PTK2 1588/4885
US-20230219962-A1 PYRAZOLO[4,3-d]PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF CELLULAR PROLIFERATIVE DISORDERS DPYD, TYMP, TK1 NOS1 3536/4885HTT 3465/4885PTK2 2329/4885
US-20210032251-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 CD38, PARP12, ENTPD2 NOS1 4862/4885HTT 3637/4885PTK2 2198/4885
US-12398146-B2 Heterobicyclic amides as inhibitors of CD38 CD38, PARP12, ENTPD2 NOS1 4862/4885HTT 3637/4885PTK2 2198/4885
US-20250255948-A1 PNEUMOCOCCAL CONJUGATE VACCINES AND METHODS OF USE THEREOF CD14, CD44, SPAG5 NOS1 2956/4885HTT 2503/4885PTK2 1818/4885
US-20230312586-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 CD38, PARP12, ENTPD2 NOS1 4862/4885HTT 3637/4885PTK2 2198/4885
US-20260078127-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 CD38, CD22, CD79B NOS1 4160/4885HTT 4174/4885PTK2 2856/4885
US-11535621-B2 Heterobicyclic amides as inhibitors of CD38 CD38, PARP12, ENTPD2 NOS1 4862/4885HTT 3637/4885PTK2 2198/4885
US-20260092053-A1 KHK INHIBITORS KHK, SLC5A2, HK1 NOS1 1762/4885HTT 2909/4885PTK2 761/4885
US-20230079863-A1 KHK INHIBITORS KHK, KHDRBS1, NADK NOS1 3707/4885HTT 2855/4885PTK2 951/4885
US-12410160-B2 KHK inhibitors KHK, KHDRBS1, NADK NOS1 3707/4885HTT 2855/4885PTK2 951/4885

“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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