SCHEMBL307955

SCHEMBL307955

c1cnc2c(c1)NCCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.35
CYP11B2 P19099 1/20 0.35
CYP19A1 P11511 3/20 0.34
ACHE P22303 1/20 0.34
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TBXAS1 P24557 2/20 0.32
TSHR P16473 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
GRIA1 P42261 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA3 P42263 1/20 0.32
GRIA4 P48058 1/20 0.32
IDH1 O75874 2/20 0.32
NUDT1 P36639 1/20 0.31
CYP1A2 P05177 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL29620683 1.00 BCHE (0.35) BCHECYP11B2CYP19A1ACHEMAPT
SCHEMBL5233554 0.94 ACHE (0.37) BCHECYP11B2CYP19A1ACHETBXAS1
SCHEMBL29429214 0.94 ACHE (0.37) BCHECYP11B2CYP19A1ACHETBXAS1
Carbamic Acid SCHEMBL16823528 0.89 KDM4E (0.41) BCHECYP11B2MAPTKDM4ETBXAS1
SCHEMBL29550114 0.87
SCHEMBL157325 0.87
Hydrochloric Acid SCHEMBL29651204 0.85 ALDH1A1 (0.35) BCHEACHEKDM4ECYP1A2SMN1; SMN2
Hydrochloric Acid SCHEMBL31159090 0.85 ALDH1A1 (0.35) BCHEACHEKDM4ECYP1A2SMN1; SMN2
Hydrochloric Acid SCHEMBL27985804 0.85 ALDH1A1 (0.35) BCHEACHEKDM4ECYP1A2SMN1; SMN2
SCHEMBL28659623 0.82 CYP19A1 (0.32) CYP19A1ACHETBXAS1IDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3768675-B1 NOVEL TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORP (KR) 2026-04-01 EP claimed
WO-2024251133-A1 HETEROCYCLIC COMPOUND AS α5-GABAA RECEPTOR MODULATOR AND USE THEREOF 武汉人福创新药物研发中心有限公司 2024-12-12 WO claimed
CN-119080754-A As alpha 5-GABAAHeterocyclic compounds of receptor modulators and uses thereof 武汉人福创新药物研发中心有限公司 2024-12-06 CN claimed
WO-2024245156-A1 HETEROCYCLIC COMPOUND ACTING AS α5-GABAA RECEPTOR REGULATOR 武汉人福创新药物研发中心有限公司 2024-12-05 WO claimed
CN-119019425-A Alpha 5-GABAAHeterocyclic compounds as receptor modulators 武汉人福创新药物研发中心有限公司 2024-11-26 CN claimed
CN-118994149-A Efficient HPK1 degradation agent compound and preparation method and application thereof 杭州阿诺生物医药科技有限公司 2024-11-22 CN claimed
US-12138263-B2 Pyrazolo[3,4-b]pyrazine SHP2 phosphatase inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2024-11-12 US claimed
EP-3630770-B1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS RELAY THERAPEUTICS INC (US) 2024-08-28 EP claimed
US-20240109900-A1 AZABICYCLIC SHP2 INHIBITORS PROMIDIS S.R.L. (IT) 2024-04-04 US claimed
CN-111886233-B Triazolone derivatives or salts thereof and pharmaceutical compositions containing the same 柳韩洋行 2024-01-02 CN claimed
US-20190322655-A1 NOVEL TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2019-10-24 US claimed
WO-2019180646-A1 NOVEL TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2019-09-26 WO claimed
WO-2019183364-A1 PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2019-09-26 WO claimed
WO-2019165073-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2019-08-29 WO claimed
WO-2019067843-A1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS RELAY THERAPEUTICS, INC. (US) 2019-04-04 WO claimed
WO-2018218133-A1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS RELAY THERAPEUTICS, INC. (US) 2018-11-29 WO claimed
EP-2336315-B1 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION AS (DK) 2017-07-19 EP claimed
CN-104610256-A Method for preparing tetrahydro-1,5-naphthyridine compound and prepared chiral product thereof CHINESE ACAD INST CHEMISTRY 2015-05-13 CN claimed
EP-2336315-A2 Enzymatic encoding methods for efficient synthesis of large libraries Nuevolution A/S (DK) 2011-06-22 EP claimed
US-20070123510-A1 Guanidine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2007-05-31 US claimed

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-20190322655-A1 NOVEL TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME SLC10A1, VAPB, VAT1 BCHE 2964/4885CYP11B2 667/4885CYP19A1 1080/4885
US-20240109900-A1 AZABICYCLIC SHP2 INHIBITORS PTPN22, PTPN2, PTPN5 BCHE 4827/4885CYP11B2 3789/4885CYP19A1 3098/4885
US-20070123510-A1 Guanidine derivatives NPFFR1, NPFFR2, OGFR BCHE 1729/4885CYP11B2 3303/4885CYP19A1 3978/4885
US-12138263-B2 Pyrazolo[3,4-b]pyrazine SHP2 phosphatase inhibitors and methods of use thereof PTPN2, PTPN5, PTPRJ BCHE 4508/4885CYP11B2 1695/4885CYP19A1 3178/4885

“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.