SCHEMBL26329083

SCHEMBL26329083

COc1ccnc2cnccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
MAOA P21397 2/20 0.43
PDGFRB P09619 4/20 0.42
PDGFRA P16234 4/20 0.42
KDM4A O75164 1/20 0.42
KDM4B O94953 1/20 0.42
KDM5C P41229 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
KDM3A Q9Y4C1 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL24011308 0.84 CCNC (0.50) CA12CA1CA2CA9MAOA
SCHEMBL29398246 0.82 IRAK4 (0.42) KDM4AKDM4BKDM5CKDM4CKDM5B
SCHEMBL12426316 0.77 MAOA (0.52) CA12CA1CA2CA9MAOA
SCHEMBL828159 0.75 GAK (0.55) HPGDALOX15SYK
SCHEMBL8277148 0.75 CCR1 (0.46) KDM4AKDM4BKDM5CKDM4CKDM5B
SCHEMBL9858440 0.74 LMNA (0.52) CA12CA1CA2CA9MAOA
Iodide SCHEMBL14236731 0.73 GAK (0.54) HPGDALOX15SYK
Iodide SCHEMBL14236729 0.73 GAK (0.54) HPGDALOX15SYK
SCHEMBL2538708 0.73 CA12 (0.53) CA12CA1CA2CA9MAOA
SCHEMBL4408564 0.73 MAOA (0.45) MAOAPDGFRBPDGFRACYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295114-A1 AKT3 MODULATORS Georgiamune Inc. 2023-09-21 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-20230295114-A1 AKT3 MODULATORS AKT3, AKT2, MTOR CA12 4245/4885CA1 3368/4885CA2 3249/4885

“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.