SCHEMBL10275087

SCHEMBL10275087

O=C(C=Cc1cnc2ccccc2c1)c1ccncc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.66
CYP3A4 P08684 5/20 0.62
SMN1; SMN2 Q16637 2/20 0.60
KDM4E B2RXH2 2/20 0.60
KMT2A Q03164 1/20 0.60
PFKFB3 Q16875 2/20 0.58
HDAC6 Q9UBN7 1/20 0.58
CYP1A1 P04798 4/20 0.56
CYP1A2 P05177 4/20 0.56
CYP1B1 Q16678 4/20 0.56
PDGFRB P09619 1/20 0.54
PDGFRA P16234 1/20 0.54
ALDH1A1 P00352 4/20 0.53
NPC1 O15118 1/20 0.53
CYP2D6 P10635 3/20 0.52
MAPT P10636 2/20 0.52
HPGD P15428 1/20 0.52
NPY1R P25929 1/20 0.52
MAPK1 P28482 1/20 0.52
NPY2R P49146 1/20 0.52

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
SCHEMBL10309019 1.00 RAB9A (0.66) RAB9ACYP3A4SMN1; SMN2KDM4EKMT2A
SCHEMBL10309037 0.87 CYP1A1 (0.70) RAB9ACYP3A4SMN1; SMN2KDM4EKMT2A
SCHEMBL10275040 0.87 CYP1A1 (0.70) RAB9ACYP3A4SMN1; SMN2KDM4EKMT2A
SCHEMBL10275085 0.86 CYP1B1 (0.67) RAB9ACYP3A4SMN1; SMN2KDM4EKMT2A
SCHEMBL10309020 0.84 RAB9A (0.66) RAB9ACYP3A4SMN1; SMN2KDM4EKMT2A
SCHEMBL10275468 0.84 RAB9A (0.66) RAB9ACYP3A4SMN1; SMN2KDM4EKMT2A
SCHEMBL372256 0.80 RAB9A (1.00) RAB9ACYP3A4SMN1; SMN2KDM4EKMT2A
SCHEMBL17461333 0.80 RAB9A (1.00) RAB9ACYP3A4SMN1; SMN2KDM4EKMT2A
SCHEMBL372255 0.80 RAB9A (1.00) RAB9ACYP3A4SMN1; SMN2KDM4EKMT2A
SCHEMBL10275039 0.79 CYP1A1 (0.70) RAB9ACYP3A4KMT2APFKFB3CYP1A1

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 4 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-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 RAB9A 3717/4885CYP3A4 4440/4885SMN1; SMN2 3424/4885

“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.