SCHEMBL3716606

SCHEMBL3716606

CC(C)Cn1nccc1B(O)O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.32
MAPK1 P28482 1/20 0.32
CTSK P43235 1/20 0.32
PIK3CD O00329 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL15329870 0.82 MAPK1 (0.33) MAPK1
SCHEMBL1648042 0.79 MEN1 (0.36) MAPK1
SCHEMBL3658952 0.76 NR3C2 (0.37) GRM2MAPK1
SCHEMBL29956694 0.74 MAPK1 (0.32) MAPK1
SCHEMBL6154816 0.72 MAPK1 (0.47) GRM2MAPK1PIK3CDLMNA
SCHEMBL25382537 0.71 UBE2M (0.34) MAPK1
SCHEMBL31375944 0.71 MPO (0.36) MAPK1
SCHEMBL20197167 0.71 GRM2 (0.34) GRM2MAPK1CTSKPIK3CDLMNA
SCHEMBL22633135 0.71 KDM4E (0.48) GRM2MAPK1CTSKPIK3CDLMNA
SCHEMBL23138107 0.71 S1PR1 (0.34) GRM2MAPK1CTSKPIK3CDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4676600-A1 PROTEIN KINASE INHIBITORS AND USES THEREOF Deliver Therapeutics, Inc. (US) 2026-01-14 EP disclosed
EP-4676601-A1 PROTEIN KINASE INHIBITORS AND USES THEREOF Deliver Therapeutics, Inc. (US) 2026-01-14 EP disclosed
WO-2024186580-A1 PROTEIN KINASE INHIBITORS AND USES THEREOF DELIVER THERAPEUTICS, INC. (US) 2024-09-12 WO disclosed
WO-2024186579-A1 PROTEIN KINASE INHIBITORS AND USES THEREOF DELIVER THERAPEUTICS, INC. (US) 2024-09-12 WO disclosed
US-20230382924-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 US disclosed
US-20230382924-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-4038068-A1 N-SUBSTITUTED-4-OXO-3,4-DIHYDROPYRIDO[2,3-D]PYRIMIDIN-2-YL DERIVATIVES AS INHIBITORS OF THE HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2022-08-10 EP disclosed
WO-2022076621-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
WO-2021064571-A1 N-SUBSTITUTED-4-OXO-3,4-DIHYDROPYRIDO[2,3-D]PYRIMIDIN-2-YL DERIVATIVES AS INHIBITORS OF THE HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2021-04-08 WO disclosed
US-9896439-B2 Pyrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2018-02-20 US disclosed
US-20170096416-A1 PYRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-04-06 US disclosed
US-9604994-B2 Thienopyrimidine inhibitors of atypical protein kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2017-03-28 US disclosed
US-9604994-B2 Thienopyrimidine inhibitors of atypical protein kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2017-03-28 US disclosed
US-20130289025-A1 PYRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2013-10-31 US disclosed
US-8440673-B2 Pyrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2013-05-14 US disclosed
EP-2234976-B1 NOVEL PYRAZOLE-SUBSTITUTED ARYLAMIDES HOFFMANN LA ROCHE (CH) 2013-04-10 EP disclosed
EP-2234976-A1 NOVEL PYRAZOLE-SUBSTITUTED ARYLAMIDES F. Hoffmann-La Roche AG (CH) 2010-10-06 EP disclosed
US-20090170873-A1 Pyrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2009-07-02 US disclosed
WO-2009077367-A1 NOVEL PYRAZOLE-SUBSTITUTED ARYLAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 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 (4 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-20090170873-A1 Pyrazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX7 GRM2 650/4885MAPK1 1889/4885CTSK 3630/4885
US-20130289025-A1 PYRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 GRM2 650/4885MAPK1 1889/4885CTSK 3630/4885
US-20170096416-A1 PYRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 GRM2 650/4885MAPK1 1889/4885CTSK 3630/4885
US-20230382924-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B GRM2 3125/4885MAPK1 3803/4885CTSK 2393/4885

“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.