SCHEMBL25934296

SCHEMBL25934296

Cc1cnc(NCc2cccc(F)c2)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
CYP2C19 P33261 1/20 0.51
NTRK1 P04629 7/20 0.49
CLK4 Q9HAZ1 2/20 0.49
APP P05067 1/20 0.48
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47
KDM5A P29375 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
KDM5B Q9UGL1 1/20 0.47
VNN1 O95497 1/20 0.47
PAK4 O96013 2/20 0.46
AURKA O14965 2/20 0.46

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
SCHEMBL22191429 0.85 GAA (0.52) GAAKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL25934308 0.80 VNN1 (0.52) GAAKDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL19145368 0.79 VNN1 (0.57) GAAALDH1A1HPGDVNN1
SCHEMBL25934345 0.78 VNN1 (0.57) GAAKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL171575 0.77 HTT (0.62) GAAKDM4EALDH1A1HPGDNTRK1
SCHEMBL15584259 0.77 NTRK1 (0.52) NTRK1CLK4APPPAK4AURKA
SCHEMBL4951737 0.75 MAPT (0.59) GAAALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL18512064 0.74 VNN1 (0.53) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL13879797 0.74 SMN1; SMN2 (0.44) KDM4ENTRK1MAPTKDM5AKDM4C
SCHEMBL6692696 0.73 FFAR1 (0.67) ALDH1A1HPGDAPPMAPTKDM5A

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-20230234935-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2023-07-27 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-20230234935-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE PACSIN2, MAP3K20, PHKG1 GAA 631/4885KDM4E 2270/4885ALDH1A1 4635/4885

“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.