SCHEMBL25934308

SCHEMBL25934308

Cc1cnc(NCc2ccc(F)cc2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 7/20 0.52
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
AURKA O14965 1/20 0.50
ABL1 P00519 1/20 0.50
NTRK1 P04629 1/20 0.50
LCK P06239 1/20 0.50
CSF1R P07333 1/20 0.50
RET P07949 1/20 0.50
MET P08581 1/20 0.50
PDGFRB P09619 1/20 0.50
PIM1 P11309 1/20 0.50
PDGFRA P16234 1/20 0.50
FLT3 P36888 1/20 0.50
MAPK8 P45983 1/20 0.50
CDK8 P49336 1/20 0.50
MAP2K1 Q02750 1/20 0.50
MAP4K2 Q12851 1/20 0.50
ROCK1 Q13464 1/20 0.50

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
SCHEMBL22191080 0.83 VNN1 (0.54) VNN1KDM4EALDH1A1HPGDMEN1
SCHEMBL13879817 0.82 VNN1 (0.51) VNN1KDM4EALDH1A1HPGDKCNH3
SCHEMBL25934326 0.81 VNN1 (0.59) VNN1KDM4EALDH1A1
SCHEMBL19145368 0.81 VNN1 (0.57) VNN1ALDH1A1HPGDMEN1HTT
SCHEMBL25934296 0.80 GAA (0.51) VNN1KDM4EALDH1A1HPGDAURKA
SCHEMBL21381218 0.79 VNN1 (0.54) VNN1KDM4EALDH1A1HPGDKCNH3
SCHEMBL25934362 0.79 VNN1 (0.64) VNN1MEN1KMT2AGAA
SCHEMBL14075894 0.78 LMNA (0.53) VNN1KDM4EALDH1A1HPGDMEN1
SCHEMBL22191079 0.77 NTRK1 (0.52) VNN1KDM4EALDH1A1HPGDNTRK1
SCHEMBL25934368 0.77 VNN1 (0.62) VNN1NTRK1LCK

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 VNN1 4618/4885KDM4E 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.