SCHEMBL10275040

SCHEMBL10275040

O=C(C=Cc1cnc2ccccc2c1)c1cccnc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 6/20 0.70
CYP1A2 P05177 6/20 0.70
CYP1B1 Q16678 6/20 0.70
CYP3A4 P08684 5/20 0.70
CYP2D6 P10635 4/20 0.70
RAB9A P51151 2/20 0.63
SMN1; SMN2 Q16637 3/20 0.57
KMT2A Q03164 2/20 0.57
APP P05067 1/20 0.57
GSK3B P49841 1/20 0.57
KDM4E B2RXH2 1/20 0.57
MAPT P10636 2/20 0.56
MEN1 O00255 1/20 0.56
MAPK1 P28482 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
ALDH1A1 P00352 2/20 0.56
LMNA P02545 2/20 0.56
THRB P10828 2/20 0.56
NPC1 O15118 1/20 0.55
USP2 O75604 1/20 0.54

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
SCHEMBL10309037 1.00 CYP1A1 (0.70) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL10309019 0.87 RAB9A (0.66) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL10275087 0.87 RAB9A (0.66) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL10275039 0.85 CYP1A1 (0.70) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL17233301 0.83 CYP1A1 (1.00) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL10275468 0.82 RAB9A (0.66) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL10309020 0.82 RAB9A (0.66) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL9434333 0.80 RAB9A (0.60) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL10275037 0.80 CYP1A1 (0.74) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL10309040 0.80 CYP1A1 (0.74) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-10010542-B2 PFKFB3 inhibit and methods of use as an anti-cancer therapeutic GB ACT, INC. (US) 2018-07-03 US disclosed
US-20170258783-A1 PFKFB3 INHIBIT AND METHODS OF USE AS AN ANTI-CANCER THERAPEUTIC GB005, INC. 2017-09-14 US disclosed
US-9649305-B2 PFKFB3 inhibitor and methods of use as an anti-cancer therapeutic ADVANCED CANCER THERAPEUTICS, LLC (US) 2017-05-16 US disclosed
EP-2831047-B1 PFKFB3 INHIBITOR AND METHODS OF USE AS AN ANTI-CANCER THERAPEUTIC ADVANCED CANCER THERAPEUTICS LLC (US) 2017-05-03 EP disclosed
US-20150064175-A1 PFKFB3 INHIBITOR AND METHODS OF USE AS AN ANTI-CANCER THERAPEUTIC GB005, INC. 2015-03-05 US 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 (4 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-20170258783-A1 PFKFB3 INHIBIT AND METHODS OF USE AS AN ANTI-CANCER THERAPEUTIC PFKFB3, PFKFB1, PFKFB2 CYP1A1 3075/4885CYP1A2 2493/4885CYP1B1 2579/4885
US-20120177749-A1 FAMILY OF PFKFB3 INHIBITORS WITH ANTI-NEOPLASTIC ACTIVITIES PFKFB3, PFKFB2, PFKFB1 CYP1A1 4826/4885CYP1A2 4666/4885CYP1B1 4552/4885
US-10010542-B2 PFKFB3 inhibit and methods of use as an anti-cancer therapeutic PFKFB3, PFKFB1, PFKFB2 CYP1A1 3075/4885CYP1A2 2493/4885CYP1B1 2579/4885
US-20150064175-A1 PFKFB3 INHIBITOR AND METHODS OF USE AS AN ANTI-CANCER THERAPEUTIC PFKFB3, PFKFB1, PFKFB2 CYP1A1 2919/4885CYP1A2 2362/4885CYP1B1 2434/4885

“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.