SCHEMBL10275589

SCHEMBL10275589

O=C(C=Cc1ccc2cccc(O)c2n1)c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 4/20 0.56
CYP1A1 P04798 7/20 0.55
CYP1A2 P05177 7/20 0.55
CYP1B1 Q16678 7/20 0.55
CYP3A4 P08684 4/20 0.55
CYP2D6 P10635 4/20 0.55
APP P05067 1/20 0.53
GSK3B P49841 1/20 0.53
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
POLB P06746 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
USP2 O75604 1/20 0.50
MAPT P10636 2/20 0.49
HDAC6 Q9UBN7 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL10309038 1.00 PFKFB3 (0.56) PFKFB3CYP1A1CYP1A2CYP1B1CYP3A4
SCHEMBL10275161 0.86 PFKFB3 (0.74) PFKFB3CYP1A1CYP1A2CYP1B1CYP2D6
SCHEMBL10309021 0.86 PFKFB3 (0.74) PFKFB3CYP1A1CYP1A2CYP1B1CYP2D6
SCHEMBL3551268 0.85 KMT2A (0.61) PFKFB3KMT2AKDM4EMEN1NPC1
SCHEMBL3551272 0.85 KMT2A (0.61) PFKFB3KMT2AKDM4EMEN1NPC1
SCHEMBL197579 0.81 PFKFB3 (0.73) PFKFB3CYP1A1CYP1A2CYP1B1CYP3A4
SCHEMBL29402512 0.81 PFKFB3 (0.73) PFKFB3CYP1A1CYP1A2CYP1B1CYP3A4
SCHEMBL197580 0.81 PFKFB3 (0.73) PFKFB3CYP1A1CYP1A2CYP1B1CYP3A4
SCHEMBL10309022 0.80 PFKFB3 (0.62) PFKFB3CYP1B1KMT2AKDM4EMEN1
SCHEMBL10275204 0.80 PFKFB3 (0.62) PFKFB3CYP1B1KMT2AKDM4EMEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557823-B2 Family of PFKFB3 inhibitors with anti-neoplastic activities ADVANCED CANCER THERAPEUTICS, LLC (US) 2013-10-15 US claimed
US-20230312728-A1 Methods and Compositions for Diabetes Treatment and Beta-Cell Regeneration THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-10-05 US disclosed
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 disclosed
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 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 1/4885CYP1A1 4826/4885CYP1A2 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.