SCHEMBL1941900

SCHEMBL1941900

Cc1c(C(=O)NCc2cccc(F)c2C2CC2)c2cccc(F)c2c(=O)n1-c1cncnc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
P2RX7 Q99572 2/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TLR2 O60603 3/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
APLNR P35414 1/20 0.34
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PDE10A Q9Y233 2/20 0.33
NPC1 O15118 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
SCHEMBL1945102 0.91 POLB (0.37) POLBP2RX7ALDH1A1GAATDP1
SCHEMBL1944144 0.88 P2RX7 (0.39) POLBP2RX7ALDH1A1GAATDP1
SCHEMBL1942934 0.88 P2RX7 (0.38) POLBP2RX7ALDH1A1GAATDP1
SCHEMBL1943748 0.87 USP14 (0.40) POLBP2RX7ALDH1A1GAATDP1
SCHEMBL1943596 0.86 TLR2 (0.42) POLBP2RX7ALDH1A1TLR2LMNA
SCHEMBL1942347 0.86 REN (0.42) POLBP2RX7LMNAADORA2APDE10A
SCHEMBL1943749 0.84 POLB (0.35) POLBP2RX7ALDH1A1GAATDP1
SCHEMBL1943763 0.83 APLNR (0.42) POLBALDH1A1GAATDP1LMNA
SCHEMBL1943594 0.83 TLR2 (0.39) POLBP2RX7ALDH1A1TLR2LMNA
SCHEMBL1945425 0.83 P2RX7 (0.40) POLBP2RX7ALDH1A1GAATDP1

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 3624/4885P2RX7 1005/4885ALDH1A1 1597/4885

“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.