SCHEMBL3590963

SCHEMBL3590963

CNc1ncc(N)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.41
NNMT P40261 1/20 0.36
CYP3A4 P08684 3/20 0.36
ALDH1A1 P00352 3/20 0.36
LRRK2 Q5S007 3/20 0.34
JAK2 O60674 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 2/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.33
THRB P10828 1/20 0.33
MAP4K4 O95819 1/20 0.33
MALT1 Q9UDY8 1/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL12909531 0.78 KMT2A (0.50) GRM4MEN1KMT2AHSD17B10HTT
SCHEMBL6984527 0.77 NOS3 (0.37) NNMTCYP3A4ALDH1A1MAP4K4KDM4E
SCHEMBL29168216 0.77 GRM4 (0.39) GRM4NNMTALDH1A1LRRK2JAK2
SCHEMBL3934451 0.76 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL22585805 0.75 PLAU (0.42) GRM4NNMTALDH1A1LRRK2JAK2
SCHEMBL15081248 0.75 APP (0.39) ALDH1A1JAK2MAP4K4NPC1LMNA
Hydrochloric Acid SCHEMBL28386668 0.73 PLAU (0.41) GRM4NNMTALDH1A1LRRK2JAK2
Hydrochloric Acid SCHEMBL28718486 0.73 GRM4 (0.38) GRM4NNMTALDH1A1LRRK2JAK2
SCHEMBL4509394 0.73 GRM5 (0.51) BCL6
SCHEMBL20669920 0.72 GRM4 (0.37) GRM4NNMTALDH1A1LRRK2JAK2

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
CN-114945571-B Cyclic compounds and methods of use thereof 薛定谔公司 2025-02-25 CN disclosed
US-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. 2024-01-18 US disclosed
US-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. 2024-01-18 US disclosed
US-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. 2024-01-18 US disclosed
EP-4081526-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME Schrödinger, Inc. (US) 2022-11-02 EP disclosed
CN-114945571-A Cyclic compounds and methods of use thereof 薛定谔公司 2022-08-26 CN disclosed
WO-2021134004-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRODINGER, INC. (US) 2021-07-01 WO disclosed
WO-2021134004-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRODINGER, INC. (US) 2021-07-01 WO disclosed
EP-1632477-B1 BENZAMIDE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2017-03-01 EP disclosed
EP-1632477-B1 BENZAMIDE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2017-03-01 EP disclosed
US-7855198-B2 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2010-12-21 US disclosed
US-7855198-B2 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2010-12-21 US disclosed
CN-100562513-C Benzamide derivatives or its salt ASTELLAS PHARMA INC (JP) 2009-11-25 CN disclosed
US-20090270365-A1 such as N-(2,4-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(piperidin-1-ylmethyl)biphenyl-4-carboxamide, having vanilloid receptor 1 antagonistic activity, used as analgesics ASTELLAS PHARMA INC. (JP) 2009-10-29 US disclosed
US-20090270365-A1 such as N-(2,4-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(piperidin-1-ylmethyl)biphenyl-4-carboxamide, having vanilloid receptor 1 antagonistic activity, used as analgesics ASTELLAS PHARMA INC. (JP) 2009-10-29 US disclosed
US-20090270365-A1 such as N-(2,4-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(piperidin-1-ylmethyl)biphenyl-4-carboxamide, having vanilloid receptor 1 antagonistic activity, used as analgesics ASTELLAS PHARMA INC. (JP) 2009-10-29 US disclosed
US-7585878-B2 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-09-08 US disclosed
US-20070167444-A1 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. 2007-07-19 US disclosed
CN-1805923-A Benzamide derivative or salt thereof ASTELLAS PHARMA INC (JP) 2006-07-19 CN disclosed
EP-1632477-A1 BENZAMIDE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2006-03-08 EP 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 (3 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-20090270365-A1 such as N-(2,4-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(piperidin-1-ylmethyl)biphenyl-4-carboxamide, having vanilloid receptor 1 antagonistic activity, used as analgesics TRPV1, TRPV2, TRPV3 GRM4 535/4885NNMT 1104/4885CYP3A4 2822/4885
US-20070167444-A1 Benzamide derivative or salt thereof TRPV1, BDKRB1, BDKRB2 GRM4 1009/4885NNMT 1269/4885CYP3A4 3896/4885
US-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME MALT1, FKBP1B, FKBP1A GRM4 4759/4885NNMT 3639/4885CYP3A4 783/4885

“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.