SCHEMBL5653842

SCHEMBL5653842

Oc1ccc2nccc(-c3ccccc3)c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.62
ESR2 Q92731 2/20 0.50
ESR1 P03372 2/20 0.50
ALOX5 P09917 1/20 0.48
TLR8 Q9NR97 1/20 0.47
CAMKK1 Q8N5S9 1/20 0.44
CAMKK2 Q96RR4 1/20 0.44
PELI1 Q96FA3 1/20 0.44
ACVR1 Q04771 4/20 0.44
IKBKB O14920 1/20 0.44
CHUK O15111 1/20 0.44
DAPK3 O43293 1/20 0.44
JAK2 O60674 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
PAK4 O96013 1/20 0.44
CSF1R P07333 1/20 0.44
RET P07949 1/20 0.44
IGF1R P08069 1/20 0.44
FGFR1 P11362 1/20 0.44

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
SCHEMBL16585910 0.98 PIK3CA (0.60) PIK3CAESR2ESR1ALOX5TLR8
SCHEMBL9154969 0.86 TLR8 (0.61) PIK3CAESR2ESR1ALOX5TLR8
SCHEMBL9709110 0.82 PIK3CA (0.87) PIK3CACAMKK1CAMKK2ACVR1IKBKB
SCHEMBL529894 0.81 PIK3CA (0.64) PIK3CATLR8CAMKK1CAMKK2ACVR1
SCHEMBL12277881 0.79 PIK3CA (0.62) PIK3CAACVR1IKBKBCHUKDAPK3
SCHEMBL30440259 0.79 PIK3CA (0.62) PIK3CAACVR1IKBKBCHUKDAPK3
SCHEMBL8956040 0.79 PIK3CA (0.62) PIK3CATLR8ACVR1IKBKBCHUK
SCHEMBL9806116 0.79 PIK3CA (0.62) PIK3CACAMKK1CAMKK2ACVR1IKBKB
SCHEMBL9907326 0.79 PIK3CA (0.57) PIK3CACAMKK1CAMKK2MAP4K4MAPT
SCHEMBL27278122 0.79 BMP4 (0.57) PIK3CAESR1TLR8CAMKK1CAMKK2

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-20070293492-A1 Quinoline Tachykinin Receptor Antagonists MERCK SHARP & DOHME CORP. 2007-12-20 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-20070293492-A1 Quinoline Tachykinin Receptor Antagonists TACR1, TACR2, NPSR1 PIK3CA 1852/4885ESR2 1788/4885ESR1 1171/4885

“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.