SCHEMBL18794996

SCHEMBL18794996

COC(=O)c1cnn(Cc2ccc(F)nc2)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 2/20 0.53
▸ KLKB1 P03952 8/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ KLK1 P06870 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ AGTR1 P30556 1/20 0.39
▸ AGTR2 P50052 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39

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
SCHEMBL18795048 0.88 GRM2 (0.55) GRM2KLKB1ALDH1A1HSD17B10LMNA
SCHEMBL29117303 0.85 GRM2 (0.61) GRM2KLKB1TP53ALDH1A1KDM4E
SCHEMBL15520232 0.84 HSD17B10 (0.54) KLKB1L3MBTL1ALDH1A1KDM4EHSD17B10
SCHEMBL17895755 0.80 L3MBTL1 (0.60) GRM2KLKB1MEN1TP53HPGD
SCHEMBL3765456 0.80 KLKB1 (0.53) KLKB1L3MBTL1ALDH1A1KDM4EHSD17B10
SCHEMBL30736811 0.80 KDM4E (0.51) GRM2KLKB1MEN1TP53HPGD
SCHEMBL30730236 0.79 HSD17B10 (0.48) GRM2KLKB1KLK1L3MBTL1ALDH1A1
SCHEMBL29047802 0.78 GRM2 (0.42) GRM2KLKB1MEN1TP53HPGD
SCHEMBL21953537 0.78 BTK (0.56) GRM2KLKB1
SCHEMBL21375878 0.78 GRM2 (0.54) GRM2KLKB1MEN1TP53HPGD

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3368524-B1 HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-08-18 — — EP disclosed
EP-3368524-B1 HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-08-18 — — EP disclosed
US-10640486-B2 Heteroarylcarboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-05-05 — — US disclosed
US-10640486-B2 Heteroarylcarboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-05-05 — — US disclosed
US-20180319771-A1 HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-11-08 — — US disclosed
EP-3368524-A1 HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS Boehringer Ingelheim International GmbH (DE) 2018-09-05 — — EP disclosed
WO-2017072021-A1 HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-05-04 — — WO disclosed
WO-2017072021-A1 HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-05-04 — — 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 (2 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 1/4885MEN1 2409/4885
US-20180319771-A1 HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, BDKRB1, BDKRB2 GRM2 4390/4885KLKB1 1/4885MEN1 2409/4885

“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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