SCHEMBL29939624

SCHEMBL29939624

COc1cccc(-c2nn3cccnc3c2C(=O)O)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.43
PIK3CG P48736 2/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
IRAK4 Q9NWZ3 3/20 0.40
PIK3CD O00329 1/20 0.39
PIK3R2 O00459 1/20 0.39
PDE2A O00408 1/20 0.38
PTGS2 P35354 1/20 0.38
JAK2 O60674 5/20 0.38
JAK3 P52333 4/20 0.38
PTK2 Q05397 3/20 0.38
CTSA P10619 1/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NPC1 O15118 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
SCHEMBL30029014 0.86 PDE2A (0.41) PIK3CGIRAK4PDE2AJAK2JAK3
SCHEMBL29703840 0.85 CCNE2 (0.43) DHODHPIK3CGIRAK4PIK3CDPIK3R2
SCHEMBL23013296 0.85 CCNE2 (0.43) DHODHPIK3CGIRAK4PIK3CDPIK3R2
SCHEMBL27230025 0.82 IRAK4 (0.35) DHODHPIK3CGIRAK4PIK3CDPIK3R2
SCHEMBL29703839 0.80 DHODH (0.42) DHODHPIK3CGIRAK4PIK3CDPIK3R2
SCHEMBL23013809 0.80 DHODH (0.42) DHODHPIK3CGIRAK4PIK3CDPIK3R2
SCHEMBL29939632 0.79 PDE2A (0.44) DHODHPIK3CGIRAK4PIK3CDPDE2A
SCHEMBL29939530 0.77 PTGS2 (0.41) DHODHPIK3CGPIK3CDPIK3R2PTGS2
SCHEMBL29939646 0.77 KMO (0.42) DHODHPIK3CGPIK3CDPIK3R2PTGS2
SCHEMBL23023568 0.76 PTGS2 (0.41) PIK3CGPIK3CDPIK3R2PTGS2GAA

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 DHODH 3532/4885PIK3CG 4686/4885CA12 1900/4885
US-11634425-B2 Pharmaceutical compounds GABRA6, CHRNA6, CNR1 DHODH 3256/4885PIK3CG 4772/4885CA12 1729/4885
US-20220306639-A1 PHARMACEUTICAL COMPOUNDS CHRNA6, GABRA6, CHRNA7 DHODH 3532/4885PIK3CG 4686/4885CA12 1900/4885
US-20220324873-A1 PHARMACEUTICAL COMPOUNDS GABRA6, CNR1, CHRNA6 DHODH 3350/4885PIK3CG 4769/4885CA12 1866/4885

“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.