SCHEMBL196640

SCHEMBL196640

O=C(C=Cc1cccnc1)c1ccncc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 1/20 1.00
RAB9A P51151 3/20 0.77
MAPT P10636 2/20 0.77
KMT2A Q03164 1/20 0.77
CYP1A1 P04798 11/20 0.73
CYP1A2 P05177 11/20 0.73
CYP1B1 Q16678 11/20 0.73
NPC1 O15118 2/20 0.69
CYP3A4 P08684 6/20 0.67
CYP2D6 P10635 6/20 0.67
KDM4E B2RXH2 2/20 0.67
USP2 O75604 1/20 0.67
JUN P05412 1/20 0.67
NFKB1 P19838 1/20 0.67
MAPK1 P28482 1/20 0.67
GPR55 Q9Y2T6 1/20 0.67
NTSR1 P30989 1/20 0.65

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
SCHEMBL196639 1.00 PFKFB3 (1.00) PFKFB3RAB9AMAPTKMT2ACYP1A1
SCHEMBL29458617 1.00 PFKFB3 (1.00) PFKFB3RAB9AMAPTKMT2ACYP1A1
SCHEMBL13479662 0.93 RAB9A (0.88) PFKFB3RAB9AMAPTKMT2ACYP1A1
SCHEMBL979409 0.90 CYP1B1 (0.83) PFKFB3RAB9AMAPTKMT2ACYP1A1
SCHEMBL7368933 0.90 CYP1B1 (0.83) PFKFB3RAB9AMAPTKMT2ACYP1A1
SCHEMBL1604140 0.87 RAB9A (1.00) PFKFB3RAB9AMAPTKMT2ACYP1A1
SCHEMBL5646960 0.87 RAB9A (1.00) PFKFB3RAB9AMAPTKMT2ACYP1A1
SCHEMBL29600034 0.87 RAB9A (1.00) PFKFB3RAB9AMAPTKMT2ACYP1A1
SCHEMBL6700090 0.86 RAB9A (0.76) PFKFB3RAB9AMAPTKMT2ACYP1A1
SCHEMBL6794938 0.86 RAB9A (0.76) PFKFB3RAB9AMAPTKMT2ACYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122056826-A Drug-loaded magnesium-copper alginate hydrogel and preparation method and application thereof 荆楚理工学院 2026-05-19 CN claimed
US-20250287942-A1 FORMULATIONS FOR REPELLING BEES AND OTHER INSECTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-09-18 US claimed
US-20250242030-A1 COMPOSITIONS COMPRISING A NON-BIOABSORBABLE POLYMER AND METABOLIC INHIBITOR BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2025-07-31 US claimed
US-20250135072-A1 COMPOSITIONS COMPRISING A BIOABSORBABLE POLYMER AND METABOLIC INHIBITOR BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2025-05-01 US claimed
EP-4510829-A2 FORMULATIONS FOR REPELLING BEES AND OTHER INSECTS The Regents of University of California (US) 2025-02-26 EP claimed
US-20250017950-A1 COMPOUNDS FOR TREATING MITOCHONDRIAL DNA DISORDERS UCL BUSINESS LTD (GB) 2025-01-16 US claimed
EP-4433077-A1 COMPOUNDS FOR TREATING MITOCHONDRIAL DNA DISORDERS UCL Business Ltd (GB) 2024-09-25 EP claimed
EP-4419094-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF HYPERPROLIFERATIVE, INFLAMMATORY, AND IMMUNOLOGICAL DISEASES, AND INFECTIONS Edison Oncology (US) 2024-08-28 EP claimed
WO-2023205458-A2 FORMULATIONS FOR REPELLING BEES AND OTHER INSECTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-10-26 WO claimed
CN-116615241-A Methods and compositions for diabetes treatment and beta cell regeneration 加利福尼亚大学董事会 2023-08-18 CN claimed
WO-2023147048-A1 COMPOSITIONS COMPRISING A BIOABSORBABLE POLYMER AND METABOLIC INHIBITOR BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2023-08-03 WO claimed
WO-2023147055-A1 COMPOSITIONS COMPRISING A NON-BIOABSORBABLE POLYMER AND METABOLIC INHIBITOR BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2023-08-03 WO claimed
EP-4200016-A1 METHODS AND COMPOSITIONS FOR DIABETES TREATMENT AND BETA-CELL REGENERATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-28 EP claimed
WO-2023089313-A1 COMPOUNDS FOR TREATING MITOCHONDRIAL DNA DISORDERS UCL BUSINESS LTD (GB) 2023-05-25 WO claimed
WO-2023069727-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF HYPERPROLIFERATIVE, INFLAMMATORY, AND IMMUNOLOGICAL DISEASES, AND INFECTIONS EDISON ONCOLOGY (US) 2023-04-27 WO claimed
WO-2022112439-A1 DIAGNOSTIC METHODS FOR INFLAMMATORY DISEASE ASOCIACIÓN CENTRO DE INVESTIGACIÓN COOPERATIVA EN BIOCIENCIAS-CIC BIOGUNE (ES) 2022-06-02 WO claimed
WO-2022040161-A1 METHODS AND COMPOSITIONS FOR DIABETES TREATMENT AND BETA-CELL REGENERATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-02-24 WO claimed
CN-111944804-A Novel preservation solution for microbial nucleic acid in blood 广州源古纪科技有限公司 2020-11-17 CN claimed
CN-122056826-A Drug-loaded magnesium-copper alginate hydrogel and preparation method and application thereof 荆楚理工学院 2026-05-19 CN disclosed
WO-2008156783-A2 FAMILY OF PFKFB3 INHIBITORS WITH ANTI-NEOPLASTIC ACTIVITIES UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2008-12-24 WO 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-20250287942-A1 FORMULATIONS FOR REPELLING BEES AND OTHER INSECTS ACHE, BCHE, DDT PFKFB3 2759/4885RAB9A 2782/4885MAPT 1033/4885
US-20250017950-A1 COMPOUNDS FOR TREATING MITOCHONDRIAL DNA DISORDERS POLRMT, TK2, GOT2 PFKFB3 485/4885RAB9A 3197/4885MAPT 1652/4885

“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.