SCHEMBL5694385

SCHEMBL5694385

NN1CC=Cc2cccnc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
HSD11B1 P28845 2/20 0.31
KDM4E B2RXH2 1/20 0.30
GMNN O75496 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
HSP90AA1 P07900 1/20 0.30
MMP2 P08253 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
MMP9 P14780 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 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
SCHEMBL7051387 0.79 SMN1; SMN2 (0.36) HSD11B1LMNATP53CYP2D6TSHR
SCHEMBL28094317 0.78 HSD11B1 (0.33) HSD11B1
SCHEMBL6217800 0.78 CYP1A2 (0.33) HSD11B1LMNA
SCHEMBL3516279 0.78 MYC (0.30)
SCHEMBL25712668 0.78 CYP1A2 (0.30) CYP2D6TSHR
SCHEMBL525836 0.76
SCHEMBL28094116 0.75 HSD11B1 (0.33) HSD11B1KDM4ELMNAMAPTHTT
SCHEMBL1836164 0.75 PARP1 (0.36) KDM4ELMNATP53MAPTTSHR
SCHEMBL29106412 0.75 SMN1; SMN2 (0.33) LMNATP53MAPTSMN1; SMN2
SCHEMBL30511570 0.75 PARP1 (0.36) KDM4ELMNATP53MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5310737-A None JP disclosed
US-20240343710-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF 1CBIO, INC. 2024-10-17 US disclosed
US-20240101531-A1 PYRIDINAMINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS XENON PHARMACEUTICALS INC. (CA) 2024-03-28 US disclosed
CN-116710453-A Kinase inhibitors and uses thereof 璧辰医药技术股份有限公司 2023-09-05 CN disclosed
CN-109476672-A NOVEL HETEROCYCLIC DERIVATIVE COMPOUND AND USE THEREOF 韩美药品株式会社 2019-03-15 CN disclosed
EP-3302479-A1 TUMOR BIOMARKERS AND USE THEREOF Curegenix Corporation (US) 2018-04-11 EP disclosed
US-20170267673-A1 CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2017-09-21 US disclosed
US-9556135-B2 Amino-dihydrothiazine and amino-dioxido dihydrothiazine compounds as beta-secretase antagonists and methods of use AMGEN, INC. (US) 2017-01-31 US disclosed
US-9550762-B2 Cyclopropyl fused thiazin-2-amine compounds as beta-secretase inhibitors and methods of use AMGEN, INC. (US) 2017-01-24 US disclosed
WO-2016191525-A1 TUMOR BIOMARKERS AND USE THEREOF CUREGENIX CORPORATION (US) 2016-12-01 WO disclosed
US-4604401-A QUINOLINE-CARBOXYLIC ACIDS WARNER-LAMBERT COMPANY (US) 1986-08-05 US disclosed
EP-0169710-A2 7-Substituted-6-fluoro-8-substituted-1,4-dihydro-1-methylamino-4-oxo-3-quinolinecarboxylic acids; 7-substituted-6-fluoro-1,4-dihydro-1-methylamino-4-oxo-3-naphthyridine carboxylic acids; derivatives thereof; and processes for producing the compounds WARNER-LAMBERT COMPANY (US) 1986-01-29 EP disclosed
US-4517191-A 1-Amino-1,8-naphthyridine compounds useful as bactericides STERLING DRUG INC. (US) 1985-05-14 US disclosed
US-4260759-A CONDENSATION OF NITRILES SCHERING-CORPORATION (US) 1981-04-07 US disclosed
US-4260759-A CONDENSATION OF NITRILES SCHERING-CORPORATION (US) 1981-04-07 US disclosed
US-4115395-A FUNGICIDES, BACTERICIDES SCHERING CORPORATION (US) 1978-09-19 US disclosed
US-4115395-A FUNGICIDES, BACTERICIDES SCHERING CORPORATION (US) 1978-09-19 US disclosed
US-4107166-A ANTIFUNGAL, ANTIBACTERIAL SCHERING CORPORATION (US) 1978-08-15 US disclosed
US-4017500-A FUNGICIDES, BACTERICIDES SCHERING CORPORATION (US) 1977-04-12 US disclosed
US-3928367-A 1-Amino naphthyridines SCHERING CORP 1975-12-23 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 (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-20240101531-A1 PYRIDINAMINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS KCNA1, KCNB1, KCNB2 GRIN2D 203/4885GRIN3B 297/4885GRIN1 137/4885
US-20240343710-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF PARP1, PARP11, PARP12 GRIN2D 3388/4885GRIN3B 2207/4885GRIN1 2653/4885
US-20170267673-A1 CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE BACE1, BACE2, APP GRIN2D 726/4885GRIN3B 343/4885GRIN1 480/4885

“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.