SCHEMBL10275586

SCHEMBL10275586

O=C(C=Cc1cccnc1)c1ccc2cccc(O)c2n1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.60
KDM4E B2RXH2 3/20 0.59
CYP1A1 P04798 12/20 0.55
CYP1A2 P05177 12/20 0.55
CYP1B1 Q16678 12/20 0.55
CYP3A4 P08684 7/20 0.55
CYP2D6 P10635 7/20 0.55
MAPT P10636 2/20 0.53
RAB9A P51151 2/20 0.53
KMT2A Q03164 2/20 0.53
PFKFB3 Q16875 1/20 0.52
NPC1 O15118 1/20 0.51
JUN P05412 1/20 0.51
NFKB1 P19838 1/20 0.51
MAPK1 P28482 1/20 0.51
GPR55 Q9Y2T6 1/20 0.51
ALDH1A1 P00352 1/20 0.50
PIM1 P11309 1/20 0.49

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
SCHEMBL10275159 0.86 KMT2A (0.54) USP2KDM4ECYP1A1CYP1A2CYP1B1
SCHEMBL28075448 0.85 KMT2A (0.60) KDM4ECYP1A1CYP1B1CYP3A4MAPT
SCHEMBL28075449 0.85 KMT2A (0.60) KDM4ECYP1A1CYP1B1CYP3A4MAPT
SCHEMBL6283674 0.84 KMT2A (0.59) KDM4ECYP1B1CYP3A4MAPTRAB9A
SCHEMBL28095215 0.84 KMT2A (0.59) KDM4ECYP1B1CYP3A4MAPTRAB9A
SCHEMBL437765 0.84 KMT2A (0.59) KDM4ECYP1B1CYP3A4MAPTRAB9A
SCHEMBL10275177 0.81 CYP1A1 (0.62) USP2KDM4ECYP1A1CYP1A2CYP1B1
SCHEMBL10275201 0.80 MAPT (0.55) KDM4ECYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL4183052 0.79 USP2 (0.58) USP2KDM4ECYP1A1CYP1A2CYP1B1
SCHEMBL10309038 0.78 PFKFB3 (0.56) USP2KDM4ECYP1A1CYP1A2CYP1B1

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 11 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
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-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 USP2 3425/4885KDM4E 2288/4885CYP1A1 4826/4885

“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.