SCHEMBL21045599

SCHEMBL21045599

COc1cc(C#N)ncc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.40
HPGDS O60760 2/20 0.37
CHEK1 O14757 10/20 0.36
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
EGFR P00533 3/20 0.35
ERBB2 P04626 3/20 0.35
SRC P12931 2/20 0.35
PIK3CA P42336 1/20 0.35
IKBKB O14920 1/20 0.35
AURKA O14965 1/20 0.35
DCLK1 O15075 1/20 0.35
RPS6KA5 O75582 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
RET P07949 1/20 0.35
PHKG2 P15735 1/20 0.35
CDK2 P24941 1/20 0.35
FLT4 P35916 1/20 0.35
MAPKAPK2 P49137 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
SCHEMBL21045855 0.82 CHEK1 (0.40) CHEK1CYP11B1CYP11B2EGFRERBB2
SCHEMBL30439920 0.82 CHEK1 (0.40) CHEK1CYP11B1CYP11B2EGFRERBB2
SCHEMBL21045941 0.81 CYP11B1 (0.39) CHEK1CYP11B1CYP11B2EGFR
SCHEMBL19145224 0.79 CHEK1 (0.41) PDE10AHPGDSCHEK1EGFRSRC
SCHEMBL1672592 0.78 PDE10A (0.43) PDE10AHPGDSCHEK1EGFRERBB2
SCHEMBL19117503 0.76 P2RX3 (0.43) PDE10AHPGDSCHEK1EGFRERBB2
SCHEMBL21045783 0.76 CYP1A2 (0.47) EGFRERBB2
SCHEMBL1827513 0.76 ALDH1A1 (0.39)
SCHEMBL18036222 0.76 KCNQ3 (0.41) CHEK1CYP11B1CYP11B2
SCHEMBL20117027 0.75 PDE4A (0.42) PDE10ACHEK1EGFRERBB2SRC

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12156874-B2 Inhibitors of TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-12-03 US disclosed
CN-113677673-B Inhibitors of TRPC6 勃林格殷格翰国际有限公司 2024-03-05 CN disclosed
US-RE49699-E1 Inhibitors of TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-10-17 US disclosed
US-RE49699-E1 Inhibitors of TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-10-17 US disclosed
US-RE49699-E1 Inhibitors of TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-10-17 US disclosed
CN-111527078-B Pyridinecarbonyl derivatives and their therapeutic use as TRPC6 inhibitors 勃林格殷格翰国际公司 2023-06-02 CN disclosed
EP-3700902-B1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INT (DE) 2023-03-08 EP disclosed
EP-3786160-B1 PYRIDINE DERIVATIVES AND THERAPEUTIC USES THEREOF AS TRPC6 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2022-07-13 EP disclosed
EP-3786160-B1 PYRIDINE DERIVATIVES AND THERAPEUTIC USES THEREOF AS TRPC6 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2022-07-13 EP disclosed
US-20220152023-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-05-19 US disclosed
WO-2020208002-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-10-15 WO disclosed
WO-2020208002-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-10-15 WO disclosed
US-10800757-B2 Inhibitors of TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-10-13 US disclosed
US-10800757-B2 Inhibitors of TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-10-13 US disclosed
EP-3700902-A1 PYRIDINE CARBONYL DERIVATIVES AND THERAPEUTIC USES THEREOF AS TRPC6 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2020-09-02 EP disclosed
CN-111527078-A Pyridinecarbonyl derivatives and their therapeutic use as TRPC6 inhibitors 勃林格殷格翰国际公司 2020-08-11 CN disclosed
US-20190169168-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-06-06 US disclosed
US-20190169167-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2019-06-06 US disclosed
US-20190169167-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2019-06-06 US disclosed
US-20190169168-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-06-06 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 (5 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-20190169168-A1 INHIBITORS OF TRPC6 TRPC6, TRPC1, TRPC7 PDE10A 592/4885HPGDS 3045/4885CHEK1 2809/4885
US-20190169167-A1 INHIBITORS OF TRPC6 TRPC6, TRPC1, TRPC7 PDE10A 592/4885HPGDS 3045/4885CHEK1 2809/4885
US-10800757-B2 Inhibitors of TRPC6 TRPC6, TRPC1, TRPC7 PDE10A 592/4885HPGDS 3045/4885CHEK1 2809/4885
US-20220152023-A1 INHIBITORS OF TRPC6 TRPC6, TRPC1, TRPC3 PDE10A 2369/4885HPGDS 2921/4885CHEK1 1521/4885
US-12156874-B2 Inhibitors of TRPC6 TRPC6, TRPC1, TRPC3 PDE10A 2369/4885HPGDS 2921/4885CHEK1 1521/4885

“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.