SCHEMBL10275085

SCHEMBL10275085

O=C(C=Cc1ccncc1)c1cnc2ccccc2c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 6/20 0.67
CYP1A1 P04798 5/20 0.67
CYP1A2 P05177 4/20 0.67
PPARA Q07869 1/20 0.57
CYP3A4 P08684 6/20 0.55
RAB9A P51151 2/20 0.55
MGAM O43451 1/20 0.54
CYP2D6 P10635 3/20 0.52
PFKFB3 Q16875 2/20 0.51
HDAC6 Q9UBN7 1/20 0.51
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
KDM4E B2RXH2 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
P4HB P07237 1/20 0.49
ABCB1 P08183 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47

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
SCHEMBL26658659 0.90 PPARA (0.64) CYP1B1CYP1A1CYP1A2PPARACYP3A4
SCHEMBL10275039 0.87 CYP1A1 (0.70) CYP1B1CYP1A1CYP1A2PPARACYP3A4
SCHEMBL10275087 0.86 RAB9A (0.66) CYP1B1CYP1A1CYP1A2CYP3A4RAB9A
SCHEMBL10309019 0.86 RAB9A (0.66) CYP1B1CYP1A1CYP1A2CYP3A4RAB9A
SCHEMBL10275466 0.84 CYP3A4 (0.62) CYP1B1CYP1A1CYP1A2PPARACYP3A4
SCHEMBL27762189 0.82 APP (0.57) PPARACYP3A4RAB9AMGAMKDM4E
SCHEMBL3394320 0.80 CYP1B1 (1.00) CYP1B1CYP1A1CYP1A2CYP3A4CYP2D6
SCHEMBL17233430 0.80 CYP1B1 (1.00) CYP1B1CYP1A1CYP1A2CYP3A4CYP2D6
SCHEMBL10309037 0.79 CYP1A1 (0.70) CYP1B1CYP1A1CYP1A2CYP3A4RAB9A
SCHEMBL10275040 0.79 CYP1A1 (0.70) CYP1B1CYP1A1CYP1A2CYP3A4RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4340836-A1 METHODS AND COMPOSITIONS FOR TREATING NEUROLOGICAL CONDITIONS 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-4340835-A1 METHODS AND COMPOSITIONS FOR TREATING CARDIOVASCULAR DISEASE 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
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
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
WO-2017208174-A2 METHODS OF TREATING DISEASE WITH PFKFB3 INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-12-07 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 CYP1B1 4552/4885CYP1A1 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.