SCHEMBL1944795

SCHEMBL1944795

Cc1nn(C)cc1-n1c(C)c(C(=O)NCc2cccc(F)c2C2CC2)c2cccc(F)c2c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
ALDH1A1 P00352 3/20 0.38
APLNR P35414 3/20 0.37
HPGD P15428 3/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RIPK1 Q13546 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
MAPK1 P28482 1/20 0.34
MAPK10 P53779 1/20 0.34
PDE10A Q9Y233 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
SCN9A Q15858 1/20 0.33
MAPK8 P45983 1/20 0.33
MET P08581 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL1943763 0.86 APLNR (0.42) POLBALDH1A1APLNRHPGDLMNA
SCHEMBL1945425 0.86 P2RX7 (0.40) POLBALDH1A1APLNRLMNAGAA
SCHEMBL1943594 0.85 TLR2 (0.39) POLBALDH1A1APLNRLMNATP53
SCHEMBL1943007 0.84 POLB (0.37) POLBALDH1A1APLNRHPGDLMNA
SCHEMBL1943596 0.84 TLR2 (0.42) POLBALDH1A1APLNRHPGDLMNA
SCHEMBL1943735 0.83 PIK3CD (0.39) POLBALDH1A1APLNRSCN9AMET
SCHEMBL1941900 0.83 POLB (0.38) POLBALDH1A1APLNRHPGDLMNA
SCHEMBL1942934 0.81 P2RX7 (0.38) POLBALDH1A1APLNRHPGDLMNA
SCHEMBL1944144 0.81 P2RX7 (0.39) POLBALDH1A1APLNRHPGDLMNA
SCHEMBL1943749 0.81 POLB (0.35) POLBALDH1A1APLNRHPGDLMNA

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-20110130407-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2011-06-02 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-20110130407-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS KCNQ3, KCNK3, GRIK3 POLB 3624/4885ALDH1A1 1597/4885APLNR 1964/4885

“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.