Sugi Predict

Sugi Predict / Compounds / SCHEMBL21045783

SCHEMBL21045783

SCHEMBL21045783

COc1cc(C#N)ncc1Oc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.47
▸ CYP3A4 P08684 3/20 0.47
▸ CYP2D6 P10635 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ TRPA1 O75762 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ PDGFRA P16234 3/20 0.45
▸ KDR P35968 2/20 0.45
▸ AR P10275 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ EGFR P00533 1/20 0.43
▸ ERBB2 P04626 1/20 0.43
▸ SLC22A12 Q96S37 5/20 0.43
▸ TRPC6 Q9Y210 5/20 0.43
▸ POLB P06746 1/20 0.42
▸ GAA P10253 1/20 0.42

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
SCHEMBL30440463 0.89 POLB (0.49) PDGFRAARKDM4ESLC22A12POLB
SCHEMBL21045734 0.89 POLB (0.49) PDGFRAARKDM4ESLC22A12POLB
SCHEMBL21045893 0.87 MAP2K1 (0.49) ARMEN1KMT2AEGFRPOLB
SCHEMBL21081168 0.87 AR (0.60) PDGFRAKDRAREGFRERBB2
SCHEMBL30440184 0.86 AR (0.44) CYP1A2CYP3A4CYP2D6CYP2C19AR
SCHEMBL21045796 0.86 AR (0.44) CYP1A2CYP3A4CYP2D6CYP2C19AR
SCHEMBL21045605 0.85 L3MBTL1 (0.53) CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9
SCHEMBL21045704 0.85 AR (0.42) TRPA1ARPOLBGAA
SCHEMBL21045646 0.85 RAB9A (0.45) KDRAREGFRERBB2TRPC6
SCHEMBL21045809 0.85 TRPC6 (0.44) PDGFRAKDRARKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20210163449-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-06-03 — — US disclosed
US-20210163449-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-06-03 — — US disclosed
EP-3786160-A1 PYRIDINE DERIVATIVES AND THERAPEUTIC USES THEREOF AS TRPC6 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2021-03-03 — — EP disclosed
US-10889568-B2 Inhibitors of TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-01-12 — — US disclosed
US-10889568-B2 Inhibitors of TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-01-12 — — US 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-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

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 CYP1A2 2522/4885CYP3A4 1805/4885CYP2D6 436/4885
US-20210163449-A1 INHIBITORS OF TRPC6 TRPC6, TRPC1, TRPC7 CYP1A2 2770/4885CYP3A4 2099/4885CYP2D6 584/4885
US-10889568-B2 Inhibitors of TRPC6 TRPC6, TRPC1, TRPC7 CYP1A2 2522/4885CYP3A4 1805/4885CYP2D6 436/4885
US-20190169167-A1 INHIBITORS OF TRPC6 TRPC6, TRPC1, TRPC7 CYP1A2 2522/4885CYP3A4 1805/4885CYP2D6 436/4885
US-10800757-B2 Inhibitors of TRPC6 TRPC6, TRPC1, TRPC7 CYP1A2 2522/4885CYP3A4 1805/4885CYP2D6 436/4885

“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.