SCHEMBL21045893

SCHEMBL21045893

COc1cc(C#N)ncc1Oc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 7/20 0.49
RAF1 P04049 6/20 0.49
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
AR P10275 3/20 0.46
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PRKCQ Q04759 1/20 0.44
TTR P02766 3/20 0.43
EGFR P00533 1/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 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 0.91 POLB (0.49) MAP2K1RAF1POLBGAAAR
SCHEMBL21045734 0.91 POLB (0.49) MAP2K1RAF1POLBGAAAR
SCHEMBL21081168 0.88 AR (0.60) MAP2K1RAF1POLBGAAAR
SCHEMBL21045605 0.87 L3MBTL1 (0.53) MAP2K1POLBARALDH1A1MAPK1
SCHEMBL21045783 0.87 CYP1A2 (0.47) POLBGAAAREGFRMEN1
SCHEMBL30439893 0.85 LTA4H (0.47) MAP2K1RAF1POLBGAAAR
SCHEMBL21045740 0.85 LTA4H (0.47) MAP2K1RAF1POLBGAAAR
SCHEMBL21045778 0.84 TRPC6 (0.44) MAP2K1RAF1POLBGAAAR
SCHEMBL21045704 0.83 AR (0.42) MAP2K1RAF1POLBGAAAR
SCHEMBL21045646 0.83 RAB9A (0.45) ARALDH1A1L3MBTL1EGFRRAB9A

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 MAP2K1 4790/4885RAF1 715/4885POLB 4783/4885
US-20210163449-A1 INHIBITORS OF TRPC6 TRPC6, TRPC1, TRPC7 MAP2K1 4738/4885RAF1 633/4885POLB 4770/4885
US-10889568-B2 Inhibitors of TRPC6 TRPC6, TRPC1, TRPC7 MAP2K1 4790/4885RAF1 715/4885POLB 4783/4885
US-20190169167-A1 INHIBITORS OF TRPC6 TRPC6, TRPC1, TRPC7 MAP2K1 4790/4885RAF1 715/4885POLB 4783/4885
US-10800757-B2 Inhibitors of TRPC6 TRPC6, TRPC1, TRPC7 MAP2K1 4790/4885RAF1 715/4885POLB 4783/4885

“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.