SCHEMBL25459276

SCHEMBL25459276

COC(=O)Cn1nc(C)c2c1C(F)(F)[C@@H]1C[C@H]21

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.32
GAA P10253 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL24878758 0.84 KDM4E (0.32) CYP1A2GAACYP2C19KDM4ETSHR
SCHEMBL17695172 0.84 KDM4E (0.32) CYP1A2GAACYP2C19KDM4ETSHR
SCHEMBL16006579 0.84 KDM4E (0.32) CYP1A2GAACYP2C19KDM4ETSHR
SCHEMBL15708301 0.75 TRPM2 (0.37) CYP1A2GAACYP2C19KDM4EALDH1A1
SCHEMBL21643202 0.75 MAPK1 (0.35) GAACYP2C19KDM4EALDH1A1HTT
SCHEMBL16006723 0.75 MAPK1 (0.35) GAACYP2C19KDM4EALDH1A1HTT
SCHEMBL19875674 0.75 MAPK1 (0.35) GAACYP2C19KDM4EALDH1A1HTT
SCHEMBL23793623 0.75 MAPK1 (0.35) GAACYP2C19KDM4EALDH1A1HTT
SCHEMBL21407652 0.75 TRPM2 (0.37) CYP1A2GAACYP2C19KDM4EALDH1A1
SCHEMBL19875669 0.75 MAPK1 (0.35) GAACYP2C19KDM4EALDH1A1HTT

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-20230149408-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2023-05-18 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-20230149408-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION POLR2H, POLR2E, EIF2AK2 CYP1A2 2965/4885GAA 651/4885CYP2C19 1676/4885

“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.