SCHEMBL22134229

SCHEMBL22134229

O=C(O)c1cn(C(F)(F)F)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.38
▸ ASPH Q12797 2/20 0.37
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ APOBEC3A P31941 1/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33
▸ NAPRT Q6XQN6 2/20 0.32
▸ P4HTM Q9NXG6 2/20 0.32
▸ KDM8 Q8N371 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ HCAR2 Q8TDS4 1/20 0.32
▸ P4HA1 P13674 1/20 0.31
▸ MIF P14174 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ ACMSD Q8TDX5 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ NOTUM Q6P988 1/20 0.31
▸ KMO O15229 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
SCHEMBL22134231 0.82 KMT2A (0.44) LMNATSHRNOTUMKMT2A
SCHEMBL22290559 0.80 KDM4E (0.41) KDM4ENAPRTP4HTMLMNAL3MBTL1
Hydrochloric Acid SCHEMBL25258396 0.78 KDM4E (0.41) KDM4ENAPRTP4HTMLMNAL3MBTL1
SCHEMBL24035868 0.77 KDM4E (0.37) KDM4EASPHKDM8
SCHEMBL22290846 0.74 KDM4E (0.38) KDM4E
SCHEMBL670904 0.74 CYP11B1 (0.43) KDM4EPTGS1PTGS2NAPRTP4HTM
SCHEMBL6852980 0.72 — —
SCHEMBL2664184 0.72 KDM4E (0.42) KDM4EPTGS1PTGS2NAPRTP4HTM
SCHEMBL30291539 0.69 KDM5A (0.46) KDM4E
SCHEMBL30323016 0.69 PLA2G4A (0.36) KDM4EASPH

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-10695334-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-06-30 — — 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-10695334-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK1, KLK5 KDM4E 337/4885ASPH 241/4885PTGS1 1176/4885

“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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