SCHEMBL18795013

SCHEMBL18795013

CCOC(=O)c1cnn(Cc2cnc(Cl)cn2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.39
▸ KLKB1 P03952 1/20 0.39
▸ RAB9A P51151 3/20 0.38
▸ LMNA P02545 4/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ DGAT1 O75907 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ PKM P14618 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ ENPP2 Q13822 1/20 0.35

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
SCHEMBL3101067 0.81 KMT2A (0.51) GRM2KDM4EKLKB1RAB9ALMNA
SCHEMBL18795038 0.80 BTK (0.52) GRM2KLKB1
SCHEMBL3092869 0.78 HSD17B10 (0.51) GRM2KDM4EKLKB1RAB9ALMNA
SCHEMBL1909166 0.78 GRM2 (0.53) GRM2KDM4EKLKB1LMNACYP1A2
SCHEMBL16827699 0.78 CREBBP (0.51) GRM2KDM4ERAB9ALMNANPC1
SCHEMBL1198399 0.77 L3MBTL1 (0.43) GRM2KDM4ERAB9ALMNAL3MBTL1
SCHEMBL28590111 0.77 L3MBTL1 (0.45) GRM2KDM4ERAB9ALMNAL3MBTL1
SCHEMBL553848 0.76 ALDH1A1 (0.60) GRM2KLKB1LMNAL3MBTL1SMN1; SMN2
SCHEMBL2821953 0.76 LMNA (0.54) GRM2KLKB1RAB9ALMNASMN1; SMN2
SCHEMBL28595790 0.76 ESR1 (0.55) GRM2KDM4EKLKB1LMNACYP1A2

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 7 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
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 4390/4885KDM4E 1522/4885KLKB1 1/4885
US-20180319771-A1 HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, BDKRB1, BDKRB2 GRM2 4390/4885KDM4E 1522/4885KLKB1 1/4885

“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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