SCHEMBL29596603

SCHEMBL29596603

N#Cc1cnc(N)cc1N1CCC2(CC1)COC2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.41
PDE9A O76083 2/20 0.41
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
MTOR P42345 1/20 0.40
MAPK1 P28482 1/20 0.37
TTK P33981 2/20 0.36
MAP3K12 Q12852 1/20 0.35
FFAR4 Q5NUL3 2/20 0.33
CHEK1 O14757 1/20 0.33
ACHE P22303 1/20 0.33
TBK1 Q9UHD2 2/20 0.33
FGFR4 P22455 1/20 0.33
JAK2 O60674 1/20 0.33
RET P07949 1/20 0.33
ATR Q13535 1/20 0.33
KDM1A O60341 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
SCHEMBL22079818 1.00 PIK3CA (0.41) PIK3CAPDE9ACYP11B1CYP11B2MTOR
SCHEMBL29597581 0.87 RET (0.43) PIK3CAPDE9ACYP11B1CYP11B2TTK
SCHEMBL22079824 0.87 RET (0.43) PIK3CAPDE9ACYP11B1CYP11B2TTK
SCHEMBL22079821 0.86 PIK3CA (0.40) PIK3CAPDE9AMAPK1TTKMAP3K12
SCHEMBL29596664 0.86 PIK3CA (0.40) PIK3CAPDE9AMAPK1TTKMAP3K12
SCHEMBL22023334 0.82 PIK3CA (0.57) PIK3CAMTORMAPK1
SCHEMBL29597546 0.82 PIK3CA (0.57) PIK3CAMTORMAPK1
SCHEMBL16668734 0.80 FGFR4 (0.45) PIK3CAPDE9AMTORFFAR4FGFR4
SCHEMBL19866735 0.80 AR (0.46) PIK3CA
SCHEMBL22080140 0.79 PIK3CA (0.44) PIK3CAPDE9ACYP11B2MAPK1TBK1

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-11312701-B2 Formylpyridine derivative having FGFR4 inhibitory activity, preparation method therefor and use thereof ABBISKO THERAPEUTICS CO., LTD (CN) 2022-04-26 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-11312701-B2 Formylpyridine derivative having FGFR4 inhibitory activity, preparation method therefor and use thereof FGFR4, FGFR1, FGFR2 PIK3CA 444/4885PDE9A 4442/4885CYP11B1 463/4885

“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.