SCHEMBL22993198

SCHEMBL22993198

COc1ccc(-n2ccnn2)c(CBr)c1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 2/20 0.41
▸ NOTUM Q6P988 9/20 0.38
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CHRNB2 P17787 1/20 0.35
▸ CYP2B6 P20813 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ HTR3A P46098 1/20 0.35
▸ CYP19A1 P11511 1/20 0.33
▸ KEAP1 Q14145 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ KCNH2 Q12809 1/20 0.32
▸ KLKB1 P03952 2/20 0.31
▸ F2 P00734 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TSHR P16473 1/20 0.31

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
SCHEMBL29407598 1.00 F11 (0.41) F11NOTUMCYP1A2CYP2C9CHRNB2
SCHEMBL22982183 0.88 F11 (0.42) F11NOTUMCYP1A2CYP2C9CHRNB2
SCHEMBL29407468 0.88 F11 (0.42) F11NOTUMCYP1A2CYP2C9CHRNB2
SCHEMBL29792692 0.86 F11 (0.41) F11NOTUMCYP1A2CYP2C9CHRNB2
SCHEMBL22982213 0.86 NOTUM (0.50) F11NOTUMCYP1A2CYP2C9CHRNB2
SCHEMBL23088093 0.86 F11 (0.41) F11NOTUMCYP1A2CYP2C9CHRNB2
SCHEMBL29407452 0.86 NOTUM (0.50) F11NOTUMCYP1A2CYP2C9CHRNB2
SCHEMBL21145582 0.81 ALDH1A1 (0.51) F11KLKB1F2ALDH1A1TSHR
SCHEMBL29405518 0.81 ALDH1A1 (0.51) F11KLKB1F2ALDH1A1TSHR
SCHEMBL22981130 0.78 GAA (0.43) F11CYP1A2CYP2C19ALDH1A1TSHR

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-20230250080-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LTD (GB) 2023-08-10 — — US disclosed
US-20230250080-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LTD (GB) 2023-08-10 — — US disclosed
WO-2021028649-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 — — WO disclosed
WO-2021028645-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 — — WO 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-20230250080-A1 ENZYME INHIBITORS SERPINB1, KLKB1, SERPINE1 F11 43/4885NOTUM 448/4885CYP1A2 876/4885

“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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