SCHEMBL10115538

SCHEMBL10115538

CC[C@H](C)c1ccncc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
LATS1 O95835 4/20 0.39
LATS2 Q9NRM7 3/20 0.39
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP17A1 P05093 1/20 0.33
RORC P51449 1/20 0.33
AOC1 P19801 1/20 0.32
AOC3 Q16853 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE7A Q13946 1/20 0.32

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
SCHEMBL20940108 1.00 RPS6KA3 (0.41) RPS6KA3LOXL2LATS1LATS2TSHR
SCHEMBL14612403 1.00 RPS6KA3 (0.41) RPS6KA3LOXL2LATS1LATS2TSHR
SCHEMBL21783997 0.85 RPS6KA3 (0.40) RPS6KA3LOXL2LATS1LATS2SMN1; SMN2
SCHEMBL10264269 0.82 LOXL2 (0.42) RPS6KA3LOXL2LATS1LATS2CYP17A1
SCHEMBL20940090 0.80 RPS6KA3 (0.36) RPS6KA3LOXL2LATS1LATS2
SCHEMBL83998 0.79 RPS6KA3 (0.54) RPS6KA3LOXL2LATS1LATS2AOC1
SCHEMBL24271130 0.79 LOXL2 (0.44) RPS6KA3LOXL2LATS1LATS2
SCHEMBL13385945 0.79 PDE2A (0.47) RPS6KA3LOXL2LATS1LATS2TP53
SCHEMBL25493980 0.79 TSHR (0.41) RPS6KA3TSHRHTTRAB9ANPC1
SCHEMBL13848825 0.78 TSHR (0.39) RPS6KA3LATS1LATS2TSHRHTT

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-20120021074-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2012-01-26 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-20120021074-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 RPS6KA3 1373/4885LOXL2 2241/4885LATS1 4417/4885

“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.