SCHEMBL21754322

SCHEMBL21754322

Nc1nc(-c2cncc(F)c2)nc2cccnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 4/20 0.40
PIK3CA P42336 4/20 0.39
TOP1 P11387 2/20 0.39
PRMT5 O14744 1/20 0.39
PIK3CD O00329 4/20 0.39
PIK3CG P48736 3/20 0.39
MTOR P42345 2/20 0.39
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
NQO2 P16083 1/20 0.37
ADORA2B P29275 1/20 0.37
MAP4K4 O95819 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL30493685 0.79 CYP1A2 (0.54) KDM4ECYP1A2CYP3A4MAPTHPGD
SCHEMBL21899404 0.78 TLR7 (0.40) TLR7
SCHEMBL31729115 0.72 MAP4K4 (0.50) PIK3CAPIK3CDPIK3CGMTORMAP4K4
SCHEMBL26638142 0.71 NQO2 (0.35) TLR7PIK3CAPIK3CDPIK3CGKDM4C
SCHEMBL30493780 0.71 NQO2 (0.35) TLR7PIK3CAPIK3CDPIK3CGKDM4C
SCHEMBL3383117 0.71 GRM4 (0.40) TLR7NQO2ADORA2BMAP4K4CYP3A4
SCHEMBL23348864 0.70 HCAR2 (0.45) KDM4CNQO2ADORA2BCYP3A4
SCHEMBL24408180 0.68 CYP1A2 (0.44) KDM4ECYP1A2CYP3A4MAPTHPGD
SCHEMBL29517215 0.67 DHFR (0.54) TLR7PRMT5MTORKDM4ECYP3A4
SCHEMBL3617192 0.67 DHFR (0.54) TLR7PRMT5MTORKDM4ECYP3A4

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-10570138-B2 Indole AHR inhibitors and uses thereof KYN THERAPEUTICS (US) 2020-02-25 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-10570138-B2 Indole AHR inhibitors and uses thereof AHR, ARNT, IDO1 TLR7 1145/4885PIK3CA 3812/4885TOP1 3825/4885

“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.