SCHEMBL14739587

SCHEMBL14739587

O=C(c1cccnc1)c1cc2c(ccc3ccccc32)[nH]1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.70
ALDH1A1 P00352 5/20 0.58
KDM4E B2RXH2 3/20 0.58
LMNA P02545 1/20 0.58
HSD17B10 Q99714 1/20 0.58
PDGFRB P09619 1/20 0.53
PDGFRA P16234 1/20 0.53
CYP1A2 P05177 3/20 0.44
CYP1A1 P04798 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP1B1 Q16678 2/20 0.44
IDO1 P14902 3/20 0.43
RAB9A P51151 5/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NPC1 O15118 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL30533222 1.00 MAP2K1 (0.70) MAP2K1ALDH1A1KDM4ELMNAHSD17B10
SCHEMBL2302776 0.85 ALDH1A1 (0.62) MAP2K1ALDH1A1KDM4ELMNAHSD17B10
SCHEMBL30009269 0.85 ALDH1A1 (0.62) MAP2K1ALDH1A1KDM4ELMNAHSD17B10
SCHEMBL12428146 0.85 HSD17B10 (0.74) MAP2K1ALDH1A1KDM4ELMNAHSD17B10
SCHEMBL10864069 0.82 MAP2K1 (1.00) MAP2K1KDM4EHSD17B10PDGFRBPDGFRA
SCHEMBL30009195 0.80 CLK1 (0.66) MAP2K1ALDH1A1KDM4ELMNAHSD17B10
SCHEMBL14739483 0.80 CLK1 (0.66) MAP2K1ALDH1A1KDM4ELMNAHSD17B10
SCHEMBL29403077 0.79 ALDH1A1 (0.73) ALDH1A1KDM4ELMNAHSD17B10CYP1A2
SCHEMBL30116222 0.79 KDM4E (0.64) ALDH1A1KDM4ELMNAHSD17B10PDGFRB
SCHEMBL14740027 0.79 ALDH1A1 (0.73) ALDH1A1KDM4ELMNAHSD17B10CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9403769-B2 Small molecule inhibitors of PFKFB3 and glycolytic flux and their methods of use as anti-cancer therapeutics ADVANCED CANCER THERAPEUTICS, LLC (US) 2016-08-02 US claimed
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
US-20250074989-A1 METHODS AND COMPOSITIONS FOR TREATING PANCREATIC DISEASE METANOIA BIO INC (US) 2025-03-06 US disclosed
US-20240269111-A1 METHODS AND COMPOSITIONS FOR TREATING OCULAR NEOVASCULAR DISEASE METANOIA BIO INC (US) 2024-08-15 US disclosed
US-20240269124-A1 METHODS AND COMPOSITIONS FOR TREATING NEUROLOGICAL CONDITIONS METANOIA BIO INC (US) 2024-08-15 US disclosed
US-20240262916-A1 METHODS AND COMPOSITIONS FOR TREATING CARDIOVASCULAR DISEASE METANOIA BIO INC (US) 2024-08-08 US disclosed
EP-4340835-A1 METHODS AND COMPOSITIONS FOR TREATING CARDIOVASCULAR DISEASE METANOIA BIO INC. (US) 2024-03-27 EP disclosed
EP-4340896-A1 METHODS AND COMPOSITIONS FOR TREATING OCULAR NEOVASCULAR DISEASE METANOIA BIO INC. (US) 2024-03-27 EP disclosed
EP-4340836-A1 METHODS AND COMPOSITIONS FOR TREATING NEUROLOGICAL CONDITIONS METANOIA BIO INC. (US) 2024-03-27 EP disclosed
EP-4340897-A1 METHODS AND COMPOSITIONS FOR TREATING PANCREATIC AND HEPATIC DISEASE METANOIA BIO INC. (US) 2024-03-27 EP disclosed
WO-2022245711-A1 METHODS AND COMPOSITIONS FOR TREATING NEUROLOGICAL CONDITIONS METANOIA BIO INC. (US) 2022-11-24 WO disclosed
WO-2022245697-A1 METHODS AND COMPOSITIONS FOR TREATING OCULAR NEOVASCULAR DISEASE METANOIA BIO INC. (US) 2022-11-24 WO 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
WO-2017208174-A2 METHODS OF TREATING DISEASE WITH PFKFB3 INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-12-07 WO disclosed
US-9403769-B2 Small molecule inhibitors of PFKFB3 and glycolytic flux and their methods of use as anti-cancer therapeutics ADVANCED CANCER THERAPEUTICS, LLC (US) 2016-08-02 US disclosed
US-9403769-B2 Small molecule inhibitors of PFKFB3 and glycolytic flux and their methods of use as anti-cancer therapeutics ADVANCED CANCER THERAPEUTICS, LLC (US) 2016-08-02 US disclosed
US-9403769-B2 Small molecule inhibitors of PFKFB3 and glycolytic flux and their methods of use as anti-cancer therapeutics ADVANCED CANCER THERAPEUTICS, LLC (US) 2016-08-02 US disclosed
US-20130059879-A1 Small Molecule Inhibitors of PFKFB3 and Glycolytic Flux and Their Methods of Use as Anti-Cancer Therapeutics UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2013-03-07 US disclosed
US-20130059879-A1 Small Molecule Inhibitors of PFKFB3 and Glycolytic Flux and Their Methods of Use as Anti-Cancer Therapeutics UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2013-03-07 US disclosed
US-20130059879-A1 Small Molecule Inhibitors of PFKFB3 and Glycolytic Flux and Their Methods of Use as Anti-Cancer Therapeutics UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2013-03-07 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 (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-12630638-B2 Methods and compositions for diabetes treatment and β-cell regeneration IAPP, APP, SLC2A3 MAP2K1 2580/4885ALDH1A1 1790/4885KDM4E 2885/4885
US-20130059879-A1 Small Molecule Inhibitors of PFKFB3 and Glycolytic Flux and Their Methods of Use as Anti-Cancer Therapeutics PFKFB3, PFKFB1, PFKFB2 MAP2K1 512/4885ALDH1A1 1970/4885KDM4E 1704/4885

“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.