SCHEMBL21954007

SCHEMBL21954007

CCOC(=O)c1cn(Cc2ccc(Cl)nc2)nc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.51
▸ KLKB1 P03952 16/20 0.48
▸ DGAT1 O75907 1/20 0.47
▸ KMT2A Q03164 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.44

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
SCHEMBL16246943 0.88 GRM2 (0.56) GRM2KLKB1DGAT1KDM4E
SCHEMBL17787079 0.88 GRM2 (0.49) GRM2KLKB1DGAT1KDM4E
SCHEMBL16246817 0.85 GRM2 (0.54) GRM2KLKB1DGAT1
SCHEMBL17785429 0.85 GRM2 (0.53) GRM2KLKB1DGAT1KDM4E
SCHEMBL21954006 0.84 KLKB1 (0.47) KLKB1DGAT1
SCHEMBL18617480 0.84 DGAT1 (0.59) GRM2KLKB1DGAT1KDM4E
SCHEMBL18795949 0.84 KLKB1 (0.67) KLKB1
SCHEMBL1049941 0.84 GAA (0.56) GRM2KLKB1DGAT1KDM4E
SCHEMBL19779769 0.82 GRM2 (0.55) GRM2KLKB1DGAT1
SCHEMBL17785281 0.81 GRM2 (0.50) GRM2KLKB1DGAT1KDM4E

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-10640486-B2 Heteroarylcarboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-05-05 — — 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-10640486-B2 Heteroarylcarboxamide derivatives as plasma kallikrein inhibitors KLKB1, BDKRB1, BDKRB2 GRM2 4390/4885KLKB1 1/4885DGAT1 1249/4885

“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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