SCHEMBL397509

SCHEMBL397509

Nc1ncnc2cn[nH]c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 6/20 0.50
▸ PI4K2B Q8TCG2 6/20 0.50
▸ PI4K2A Q9BTU6 6/20 0.50
▸ PI4KB Q9UBF8 6/20 0.50
▸ XDH P47989 2/20 0.50
▸ LRRK2 Q5S007 2/20 0.50
▸ RET P07949 1/20 0.50
▸ LMNA P02545 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ ERAP1 Q9NZ08 1/20 0.41
▸ HTT P42858 1/20 0.38
▸ PTK2 Q05397 1/20 0.38
▸ ADORA2A P29274 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ NUDT1 P36639 2/20 0.34
▸ LIMK1 P53667 1/20 0.34
▸ MAP4K4 O95819 2/20 0.34
▸ MAPT P10636 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL5235125 0.83 PI4KA (0.38) PI4KAPI4K2BPI4K2API4KBXDH
SCHEMBL4839832 0.74 HTT (0.38) PI4KAPI4K2BPI4K2API4KBXDH
SCHEMBL25778111 0.74 HTT (0.47) PI4KAPI4K2BPI4K2API4KBXDH
SCHEMBL29416453 0.74 DYRK1A (0.48) PI4KAPI4K2BPI4K2API4KBXDH
SCHEMBL5384173 0.74 DYRK1A (0.48) PI4KAPI4K2BPI4K2API4KBXDH
SCHEMBL570694 0.74 HTT (0.38) PI4KAPI4K2BPI4K2API4KBXDH
SCHEMBL29494872 0.71 PTK2 (0.40) PI4KAPI4K2BPI4K2API4KBXDH
SCHEMBL361678 0.70 PDPK1 (0.39) PI4KAPI4K2BPI4K2API4KBXDH
SCHEMBL12462960 0.69 HTT (0.38) HTTPTK2PDPK1CHEK1AURKA
SCHEMBL21347892 0.69 HTT (0.38) HTTPTK2PDPK1CHEK1AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113039182-B Inhibitors of YAP/TAZ-TEAD interactions and their use in cancer treatment 伊文蒂瓦公司 2024-02-20 — — CN claimed
EP-3860990-B1 INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF CANCER INVENTIVA (FR) 2022-09-14 — — EP claimed
EP-3860990-A1 INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF CANCER Inventiva (FR) 2021-08-11 — — EP claimed
WO-2020070181-A1 INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF CANCER INVENTIVA (FR) 2020-04-09 — — WO claimed
US-20170175129-A1 ALTERNATIVE NUCLEIC ACID MOLECULES AND USES THEREOF MODERNA THERAPEUTICS INC (US) 2017-06-22 — — US claimed
US-20170136131-A1 ALTERNATIVE NUCLEIC ACID MOLECULES AND USES THEREOF Modema Therapeutics, Inc. (US) 2017-05-18 — — US claimed
US-20160304552-A1 MODIFIED NUCLEIC ACID MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. 2016-10-20 — — US claimed
US-20150307542-A1 MODIFIED NUCLEIC ACID MOLECULES AND USES THEREOF MODERNATX, INC. 2015-10-29 — — US claimed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 — — WO claimed
EP-1809632-A2 PYRAZOLO[4,3-D]PYRIMIDINE DERIVATIVES USEFUL AS PDE-5 INHIBITORS Pharmacia & Upjohn Company LLC (US) 2007-07-25 — — EP claimed
WO-2006046135-A2 PYRAZOLO[4,3-D] PYRIMIDINE DERIVATIVES USEFUL AS PDE-5 INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-05-04 — — WO claimed
EP-1620437-A1 5,7-DIAMINOPYRAZOLO[4,3-D]PYRIMIDINES USEFUL IN THE TRAETMENT OF HYPERTENSION Pfizer Limited (GB) 2006-02-01 — — EP claimed
WO-2004096810-A1 5,7-DIAMINOPYRAZOLO`4,3-D!PYRIMIDINES USEFUL IN THE TREATMENT OF HYPERTENSION PFIZER LIMITED (GB) 2004-11-11 — — WO claimed
US-4266048-A Synthesis of analogs of 3'-phosphoadenosine 5'-phosphosulfate (PAPS) THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE (US) 1981-05-05 — — US claimed
WO-2025242872-A1 1H-PYRAZOLO[4,3-D]PYRIMIDINE DERIVATIVES Apollo AP45 Limited (GB) 2025-11-27 — — WO disclosed
US-20240390471-A1 COMPOUNDS AND ADJUVANT FORMULATIONS USEFUL IN PNEUMOCOCCAL VACCINES MERCK SHARP & DOHME LLC (US) 2024-11-28 — — US disclosed
CN-113521299-B Pyrazolopyrimidine derivative or conjugate thereof, preparation method and application thereof 江苏恒瑞医药股份有限公司 2024-07-16 — — CN disclosed
US-4266048-A Synthesis of analogs of 3'-phosphoadenosine 5'-phosphosulfate (PAPS) THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE (US) 1981-05-05 — — US disclosed
US-4266048-A Synthesis of analogs of 3'-phosphoadenosine 5'-phosphosulfate (PAPS) THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE (US) 1981-05-05 — — US disclosed
US-4028184-A CULTURING CORYNEBACTERIUM, ARTHROBACTER, MICROBACTERIUM KIKKOMAN SHOYU CO., LTD. (JA) 1977-06-07 — — 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 (5 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 PI4KA 577/4885PI4K2B 1184/4885PI4K2A 501/4885
US-20160304552-A1 MODIFIED NUCLEIC ACID MOLECULES AND USES THEREOF NSUN2, ADAR, NSUN3 PI4KA 2483/4885PI4K2B 3033/4885PI4K2A 2611/4885
US-20170175129-A1 ALTERNATIVE NUCLEIC ACID MOLECULES AND USES THEREOF NSUN2, RNGTT, NSUN3 PI4KA 2752/4885PI4K2B 3110/4885PI4K2A 2762/4885
US-20170136131-A1 ALTERNATIVE NUCLEIC ACID MOLECULES AND USES THEREOF NSUN2, RNGTT, NSUN3 PI4KA 2752/4885PI4K2B 3110/4885PI4K2A 2762/4885
US-20150307542-A1 MODIFIED NUCLEIC ACID MOLECULES AND USES THEREOF NSUN2, ADAR, NSUN3 PI4KA 2483/4885PI4K2B 3033/4885PI4K2A 2611/4885

“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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