SCHEMBL197580

SCHEMBL197580

O=C(C=Cc1ccc2ccccc2n1)c1cccnc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 4/20 0.73
HDAC6 Q9UBN7 2/20 0.73
CYP1A2 P05177 5/20 0.62
CYP1A1 P04798 4/20 0.62
CYP3A4 P08684 4/20 0.62
CYP2D6 P10635 4/20 0.62
CYP1B1 Q16678 4/20 0.62
LMNA P02545 4/20 0.58
KDM4E B2RXH2 4/20 0.58
MAPT P10636 4/20 0.57
CYP2C19 P33261 1/20 0.57
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 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
SCHEMBL197579 1.00 PFKFB3 (0.73) PFKFB3HDAC6CYP1A2CYP1A1CYP3A4
SCHEMBL29402512 1.00 PFKFB3 (0.73) PFKFB3HDAC6CYP1A2CYP1A1CYP3A4
SCHEMBL10309039 0.86 PFKFB3 (0.81) PFKFB3HDAC6CYP1A2CYP1B1LMNA
SCHEMBL10275355 0.86 PFKFB3 (0.81) PFKFB3HDAC6CYP1A2CYP1B1LMNA
SCHEMBL29351503 0.85 PFKFB3 (1.00) PFKFB3HDAC6CYP1A2CYP1A1CYP2D6
SCHEMBL29399327 0.85 PFKFB3 (1.00) PFKFB3HDAC6CYP1A2CYP1A1CYP2D6
SCHEMBL2702934 0.85 PFKFB3 (1.00) PFKFB3HDAC6CYP1A2CYP1A1CYP2D6
SCHEMBL16534534 0.85 PFKFB3 (1.00) PFKFB3HDAC6CYP1A2CYP1A1CYP2D6
SCHEMBL10309038 0.81 PFKFB3 (0.56) PFKFB3HDAC6CYP1A2CYP1A1CYP3A4
SCHEMBL10275589 0.81 PFKFB3 (0.56) PFKFB3HDAC6CYP1A2CYP1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12630638-B2 Methods and compositions for diabetes treatment and β-cell regeneration THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2026-05-19 US disclosed
WO-2025235574-A1 ENHANCED MACHINE LEARNING FOR IRON-BASED OLIGOMERIZATION OF ETHYLENE K-VALUE PREDICTION CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2025-11-13 WO disclosed
US-20250349392-A1 Enhanced Iron-Based Oligomerization of Ethylene Using Machine Learning-Based K-Value Prediction CHEVRON PHILLIPS CHEMICAL CO LP (US) 2025-11-13 US disclosed
WO-2025235571-A1 ENHANCED IRON-BASED OLIGOMERIZATION OF ETHYLENE USING MACHINE LEARNING-BASED K-VALUE PREDICTION CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2025-11-13 WO disclosed
US-20250349393-A1 Enhanced Machine Learning for Iron-Based Oligomerization of Ethylene K-Value Prediction CHEVRON PHILLIPS CHEMICAL CO LP (US) 2025-11-13 US disclosed
US-20250340627-A1 METHODS OF SELECTING, BASED ON POLYMORPHISMS, AN INFLAMMATORY BOWEL DISEASE SUBJECT FOR TREATMENT WITH AN ANTI-TL1A ANTIBODY PROMETHEUS BIOSCIENCES INC (US) 2025-11-06 US disclosed
US-12391752-B2 Methods of enriching or amplifying nucleic acids in a sample from a patient with inflammatory bowel disease PROMETHEUS BIOSCIENCES, INC. (US) 2025-08-19 US disclosed
US-20250161334-A1 Method Of Treating, Reducing, Or Alleviating A Medical Condition In A Patient PEYMAN GHOLAM A (US) 2025-05-22 US disclosed
US-12270954-B2 Plastic scintillating fiber and its manufacturing method KURARAY CO., LTD. (JP) 2025-04-08 US disclosed
US-12270956-B2 Plastic scintillating fiber and its manufacturing method KURARAY CO., LTD. (JP) 2025-04-08 US disclosed
WO-2022059298-A1 PLASTIC SCINTILLATION FIBER AND METHOD FOR MANUFACTURING SAME 株式会社クラレ 2022-03-24 WO disclosed
US-20220091325-A1 WEAKLY-PENETRATING RADIATION DETECTION PLASTIC SCINTILLATING FIBER KURARAY CO., LTD. (JP) 2022-03-24 US disclosed
EP-3969621-A1 TL1A PATIENT SELECTION METHODS, SYSTEMS, AND DEVICES Prometheus Biosciences, Inc. (US) 2022-03-23 EP disclosed
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 disclosed
US-20210079473-A1 METHODS AND SYSTEMS FOR CHARACTERIZING SEVERE CROHN'S DISEASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-03-18 US disclosed
EP-2167058-B1 FAMILY OF PFKFB3 INHIBITORS WITH ANTI-NEOPLASTIC ACTIVITIES UNIV LOUISVILLE RES FOUND (US) 2015-08-12 EP disclosed
US-8557823-B2 Family of PFKFB3 inhibitors with anti-neoplastic activities ADVANCED CANCER THERAPEUTICS, LLC (US) 2013-10-15 US disclosed
US-20120177749-A1 FAMILY OF PFKFB3 INHIBITORS WITH ANTI-NEOPLASTIC ACTIVITIES UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2012-07-12 US disclosed
US-8088385-B2 PFKB3 inhibitor for the treatment of a proliferative cancer UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION INC. (US) 2012-01-03 US disclosed
US-20090074884-A1 FAMILY OF PFKFB3 INHIBITORS WITH ANTI-NEOPLASTIC ACTIVITIES UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. 2009-03-19 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 (7 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-20120177749-A1 FAMILY OF PFKFB3 INHIBITORS WITH ANTI-NEOPLASTIC ACTIVITIES PFKFB3, PFKFB2, PFKFB1 PFKFB3 1/4885HDAC6 910/4885CYP1A2 4666/4885
US-20250340627-A1 METHODS OF SELECTING, BASED ON POLYMORPHISMS, AN INFLAMMATORY BOWEL DISEASE SUBJECT FOR TREATMENT WITH AN ANTI-TL1A ANTIBODY TLL1, TSG101, DNASE1L3 PFKFB3 4878/4885HDAC6 2043/4885CYP1A2 3659/4885
US-12630638-B2 Methods and compositions for diabetes treatment and β-cell regeneration IAPP, APP, SLC2A3 PFKFB3 27/4885HDAC6 4256/4885CYP1A2 2798/4885
US-20250349393-A1 Enhanced Machine Learning for Iron-Based Oligomerization of Ethylene K-Value Prediction KCNK18, KCNK9, KCNK17 PFKFB3 188/4885HDAC6 4738/4885CYP1A2 4457/4885
US-12391752-B2 Methods of enriching or amplifying nucleic acids in a sample from a patient with inflammatory bowel disease DNASE1L3, TLL1, RNASE1 PFKFB3 4875/4885HDAC6 2530/4885CYP1A2 4360/4885
US-20250349392-A1 Enhanced Iron-Based Oligomerization of Ethylene Using Machine Learning-Based K-Value Prediction KCNK18, KCNE1, KCNK9 PFKFB3 259/4885HDAC6 4781/4885CYP1A2 4228/4885
US-20090074884-A1 FAMILY OF PFKFB3 INHIBITORS WITH ANTI-NEOPLASTIC ACTIVITIES PFKFB3, PFKFB2, PFKFB1 PFKFB3 1/4885HDAC6 910/4885CYP1A2 4666/4885

“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.