SCHEMBL30268490

SCHEMBL30268490

Cc1ncc(C2=Cc3ccccc3C2)c(N)n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.46
▸ CYP11B1 P15538 2/20 0.42
▸ CYP11B2 P19099 2/20 0.42
▸ DRD4 P21917 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ IP6K1 Q92551 1/20 0.34
▸ IP6K3 Q96PC2 1/20 0.34
▸ DHFR P00374 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL31211626 0.81 PTGS2 (0.47) PTGS2CYP11B1CYP11B2ALDH1A1KDM4E
SCHEMBL7180542 0.70 PTGS2 (0.67) PTGS2CYP11B1CYP11B2DRD4IP6K1
SCHEMBL29672905 0.70 PTGS2 (0.67) PTGS2CYP11B1CYP11B2DRD4IP6K1
SCHEMBL8080061 0.70 PTGS2 (0.62) PTGS2CYP11B1CYP11B2DRD4ALDH1A1
SCHEMBL30666896 0.70 PTGS2 (0.62) PTGS2CYP11B1CYP11B2DRD4ALDH1A1
SCHEMBL7181762 0.69 PTGS2 (0.57) PTGS2CYP11B1CYP11B2DRD4TDP1
SCHEMBL7172726 0.69 PTGS2 (0.65) PTGS2CYP11B1CYP11B2DRD4IP6K1
SCHEMBL29606538 0.69 PTGS2 (0.65) PTGS2CYP11B1CYP11B2DRD4IP6K1
SCHEMBL7205941 0.68 PTGS2 (0.57) PTGS2CYP11B1CYP11B2DRD4TSHR
SCHEMBL30664496 0.68 PTGS2 (0.57) PTGS2CYP11B1CYP11B2DRD4TSHR

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-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 — — 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-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES PFKFB3, PFKFB4, PFKFB1 PTGS2 861/4885CYP11B1 2400/4885CYP11B2 2502/4885

“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.

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