SCHEMBL29939632

SCHEMBL29939632

COc1ccc(F)c(-c2nn3cccnc3c2C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.41
IDO1 P14902 1/20 0.40
STIM1 Q13586 2/20 0.39
ORAI1 Q96D31 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CTSA P10619 3/20 0.38
DHODH Q02127 1/20 0.37
FFAR1 O14842 2/20 0.37
GRK6 P43250 1/20 0.37
PPARG P37231 2/20 0.37
PIK3CD O00329 1/20 0.37
PIK3R1 P27986 1/20 0.37
PIK3CG P48736 1/20 0.37
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
JAK2 O60674 1/20 0.36
STING1 Q86WV6 1/20 0.36

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
SCHEMBL30028340 0.87 PDE2A (0.47) PDE2AIRAK4KDM4ELMNAHSD17B10
SCHEMBL23013591 0.85 JAK2 (0.41) IRAK4IDO1DHODHPIK3CDPIK3R1
SCHEMBL29703805 0.85 JAK2 (0.41) IRAK4IDO1DHODHPIK3CDPIK3R1
SCHEMBL29939530 0.85 PTGS2 (0.41) LMNADHODHPIK3CDPIK3R1PIK3CG
SCHEMBL27230039 0.82 PTGS2 (0.51) IRAK4PIK3CDPIK3R1PIK3CGKCNQ3
SCHEMBL27230017 0.81 IRAK4 (0.39) IRAK4DHODHPIK3CDPIK3R1PIK3CG
SCHEMBL23013809 0.81 DHODH (0.42) IRAK4IDO1DHODHPIK3CDPIK3R1
SCHEMBL29703839 0.81 DHODH (0.42) IRAK4IDO1DHODHPIK3CDPIK3R1
SCHEMBL29939624 0.79 DHODH (0.43) PDE2AIRAK4CTSADHODHPIK3CD
SCHEMBL30029164 0.79 PRKCZ (0.49) PDE2AIRAK4KDM4ELMNAHSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12227507-B2 Pharmaceutical compounds PFIZER INC. (US) 2025-02-18 US disclosed
US-11634425-B2 Pharmaceutical compounds PFIZER INC. (US) 2023-04-25 US disclosed
US-20220324873-A1 PHARMACEUTICAL COMPOUNDS PFIZER INC. 2022-10-13 US disclosed
US-20220306639-A1 PHARMACEUTICAL COMPOUNDS PFIZER INC. 2022-09-29 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 (4 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-12227507-B2 Pharmaceutical compounds CHRNA6, GABRA6, CHRNA7 PDE2A 4652/4885IRAK4 3200/4885IDO1 2520/4885
US-11634425-B2 Pharmaceutical compounds GABRA6, CHRNA6, CNR1 PDE2A 4484/4885IRAK4 3446/4885IDO1 2344/4885
US-20220306639-A1 PHARMACEUTICAL COMPOUNDS CHRNA6, GABRA6, CHRNA7 PDE2A 4652/4885IRAK4 3200/4885IDO1 2520/4885
US-20220324873-A1 PHARMACEUTICAL COMPOUNDS GABRA6, CNR1, CHRNA6 PDE2A 4480/4885IRAK4 3321/4885IDO1 2062/4885

“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.