SCHEMBL1676492

SCHEMBL1676492

N=C(N)Nc1ccc(Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.53
GRIN3B O60391 1/20 0.53
GRIN1 Q05586 1/20 0.53
GRIN2A Q12879 1/20 0.53
GRIN2B Q13224 1/20 0.53
GRIN2C Q14957 1/20 0.53
GRIN3A Q8TCU5 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
IDO1 P14902 1/20 0.52
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
MAPT P10636 3/20 0.47
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
ALDH1A1 P00352 2/20 0.47
F13A1 P00488 2/20 0.46
TGM2 P21980 2/20 0.46
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 2/20 0.45

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
Hydrochloric Acid SCHEMBL1115166 0.98 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1996992 0.87 F2 (0.50) MAPTALDH1A1CYP3A4CYP2C19F2
Nitric Acid SCHEMBL1833737 0.87 MEN1 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4100270 0.83 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL19371447 0.81 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL399197 0.80 KIF11 (0.48) SMN1; SMN2HTTF2NPC1TP53
SCHEMBL2279831 0.80 MEN1 (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5463340 0.80 IDO1 (0.61) IDO1MEN1KMT2AMAPTMAOA
Hydrochloric Acid SCHEMBL4365466 0.80 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14790516 0.78 IDO1 (0.59) IDO1MEN1KMT2AMAPTMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116462611-B Method for preparing polyarylguanidine by using diaryl hypervalent iodine reagent 天津科技大学 2024-06-21 CN disclosed
US-20240066135-A1 DRUG CONJUGATES AND USES THEREOF SUPERTRANS MEDICAL LTD (IL) 2024-02-29 US disclosed
US-20240066135-A1 DRUG CONJUGATES AND USES THEREOF SUPERTRANS MEDICAL LTD (IL) 2024-02-29 US disclosed
CN-116462611-A Method for preparing polyarylguanidine by using diaryl hypervalent iodine reagent 天津科技大学 2023-07-21 CN disclosed
US-8389533-B2 Gem-disubstituted and spirocyclic amino pyridines/pyrimidines as cell cycle inhibitors AMGEN INC. (US) 2013-03-05 US disclosed
US-8389533-B2 Gem-disubstituted and spirocyclic amino pyridines/pyrimidines as cell cycle inhibitors AMGEN INC. (US) 2013-03-05 US disclosed
WO-2012085166-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-06-28 WO disclosed
US-8188101-B2 Dihydropyridopyrimidines for the treatment of AB-related pathologies ASTRAZENECA AB (SE) 2012-05-29 US disclosed
US-8188101-B2 Dihydropyridopyrimidines for the treatment of AB-related pathologies ASTRAZENECA AB (SE) 2012-05-29 US disclosed
US-8188101-B2 Dihydropyridopyrimidines for the treatment of AB-related pathologies ASTRAZENECA AB (SE) 2012-05-29 US disclosed
US-20100130495-A1 COMPOUNDS 563 ASTRAZENECA AB (SE) 2010-05-27 US disclosed
US-20100130495-A1 COMPOUNDS 563 ASTRAZENECA AB (SE) 2010-05-27 US disclosed
WO-2010053438-A1 MODULATORS OF AMYLOID BETA. ASTRAZENECA AB (SE) 2010-05-14 WO disclosed
WO-2010053438-A1 MODULATORS OF AMYLOID BETA. ASTRAZENECA AB (SE) 2010-05-14 WO disclosed
WO-2009126584-A1 GEM-DISUBSTITUTED AND SPIROCYCLIC AMINO PYRIDINES/PYRIMIDINES AS CELL CYCLE INHIBITORS AMGEN INC. (US) 2009-10-15 WO disclosed
CN-1922151-A Substituted azole derivatives, compositions, and methods of use TRANSTECH PHARMA INC (US) 2007-02-28 CN disclosed
EP-1730118-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-12-13 EP disclosed
WO-2005080346-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-09-01 WO disclosed
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. 2005-08-25 US disclosed
US-3976643-A FROM AN ANILINE AND CYANAMIDE WILLIAM H. RORER, INC. (US) 1976-08-24 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-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE GRIN2D 4743/4885GRIN3B 4453/4885GRIN1 4191/4885
US-20100130495-A1 COMPOUNDS 563 BACE1, PSEN1, PSEN2 GRIN2D 1848/4885GRIN3B 550/4885GRIN1 817/4885
US-20240066135-A1 DRUG CONJUGATES AND USES THEREOF SLC7A1, ABCB11, SLC1A5 GRIN2D 3362/4885GRIN3B 2264/4885GRIN1 2834/4885

“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.