SCHEMBL7704567

SCHEMBL7704567

Brc1ccnc2c1OCO2

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.34
AOC3 Q16853 1/20 0.32
BMPR1B O00238 1/20 0.32
BMPR1A P36894 1/20 0.32
ACVR1B P36896 1/20 0.32
TGFBR1 P36897 1/20 0.32
ACVRL1 P37023 1/20 0.32
ACVR1 Q04771 1/20 0.32

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
SCHEMBL30507904 0.83 PRKCI (0.31) PRKCI
SCHEMBL3201059 0.75 NCF1 (0.32) BMPR1BBMPR1AACVR1BTGFBR1ACVRL1
SCHEMBL4820283 0.75 BMPR1B (0.32) BMPR1BBMPR1AACVR1BTGFBR1ACVRL1
SCHEMBL24240926 0.72 BMPR1B (0.30) BMPR1BBMPR1AACVR1BTGFBR1ACVRL1
SCHEMBL13399609 0.72 ACVRL1 (0.33) AOC3BMPR1BBMPR1AACVR1BTGFBR1
SCHEMBL13382187 0.71 ACVRL1 (0.32) ACVRL1
SCHEMBL22516999 0.71 CCR1 (0.41) BMPR1BBMPR1AACVR1BTGFBR1ACVRL1
SCHEMBL21598429 0.71 ACVRL1 (0.32) BMPR1BBMPR1AACVR1BTGFBR1ACVRL1
SCHEMBL30147923 0.71 ACVRL1 (0.32) BMPR1BBMPR1AACVR1BTGFBR1ACVRL1
SCHEMBL29952495 0.71 CCR1 (0.41) BMPR1BBMPR1AACVR1BTGFBR1ACVRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3807266-B1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-25 EP disclosed
CN-112585128-B Pyrazole derivatives as MALT1 inhibitors 詹森药业有限公司 2023-02-21 CN disclosed
US-11040031-B2 Pyrazole derivatives as MALT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-06-22 US disclosed
EP-3807266-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS Janssen Pharmaceutica N.V. (BE) 2021-04-21 EP disclosed
EP-3347361-B1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2020-08-05 EP disclosed
WO-2019243964-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
US-10435414-B2 Tricyclic PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2019-10-08 US disclosed
US-20180327420-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2018-11-15 US disclosed
US-10065970-B2 Tricyclic PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2018-09-04 US disclosed
EP-3347361-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE H. Hoffnabb-La Roche Ag (CH) 2018-07-18 EP disclosed
US-20180162873-A9 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2018-06-14 US disclosed
US-20180065983-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2018-03-08 US disclosed
US-20170275302-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. 2017-09-28 US disclosed
EP-3207030-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2017-08-23 EP disclosed
WO-2017042182-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2017-03-16 WO disclosed
WO-2016060941-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2016-04-21 WO disclosed
WO-2002088114-A2 HETEROARYL OFEFINIC AZACYCLIC AND HETEROARYL ACETYLENIC AZACYCLIC COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS TARGACEPT, INC. (US) 2002-11-07 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 (7 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-11040031-B2 Pyrazole derivatives as MALT1 inhibitors MALT1, PPP3R1, SQSTM1 PRKCI 747/4885AOC3 3736/4885BMPR1B 3920/4885
US-10435414-B2 Tricyclic PI3K inhibitor compounds and methods of use PIK3CA, PIK3CD, PIK3CB PRKCI 157/4885AOC3 4106/4885BMPR1B 4103/4885
US-20170275302-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 PRKCI 1664/4885AOC3 1065/4885BMPR1B 2907/4885
US-20180065983-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB PRKCI 157/4885AOC3 4106/4885BMPR1B 4103/4885
US-20180162873-A9 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB PRKCI 157/4885AOC3 4106/4885BMPR1B 4103/4885
US-20180327420-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB PRKCI 157/4885AOC3 4106/4885BMPR1B 4103/4885
US-10065970-B2 Tricyclic PI3K inhibitor compounds and methods of use PIK3CA, PIK3CD, PIK3CB PRKCI 157/4885AOC3 4106/4885BMPR1B 4103/4885

“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.