SCHEMBL4725324

SCHEMBL4725324

NNC(=O)OC(=O)N1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
POLB P06746 2/20 0.42
HPGD P15428 3/20 0.39
HSD11B1 P28845 1/20 0.38
MAPT P10636 3/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
HTT P42858 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 1/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
GAA P10253 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL21066382 0.98 ALDH1A1 (0.39) ALDH1A1POLBHPGDHSD11B1MAPT
SCHEMBL20141819 0.80 CHRNB2 (0.42) ALDH1A1POLBHSD11B1KDM4E
SCHEMBL30443406 0.79 ALDH1A1 (0.54) ALDH1A1POLBHPGDHSD11B1MAPT
SCHEMBL3946457 0.79 ALDH1A1 (0.42) ALDH1A1POLBHPGDHSD11B1MAPT
SCHEMBL4845577 0.77 ALDH1A1 (0.39) ALDH1A1POLBHPGDHSD11B1MAPT
SCHEMBL1423966 0.76 ALDH1A1 (0.37) ALDH1A1POLBHPGDHSD11B1MAPT
SCHEMBL6062561 0.76 ALDH1A1 (0.47) ALDH1A1POLBHPGDHSD11B1MAPT
SCHEMBL6697255 0.75 ALDH1A1 (0.50) ALDH1A1POLBHPGDHSD11B1MAPT
SCHEMBL3885999 0.75 EPHX1 (0.44) ALDH1A1POLBHPGDHTTMEN1
SCHEMBL28943426 0.73 SMN1; SMN2 (0.40) ALDH1A1POLBHPGDMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12263171-B2 7-, 8-, and 10-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use MERCK SHARP & DOHME LLC (US) 2025-04-01 US disclosed
US-12060357-B2 9-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use MERCK SHARP & DOHME LLC (US) 2024-08-13 US disclosed
EP-4361148-A1 HETEROCYCLOALKYL-SUBSTITUTED POLYHETEROAZOLE DERIVATIVE AS MEDICAL DRUG FOR TREATMENT AND/OR PREVENTION OF RS VIRUS INFECTIOUS DISEASE Albius Sciences Alpha Private Limited (SG) 2024-05-01 EP disclosed
US-20230054411-A1 7-, 8-, and 10-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2023-02-23 US disclosed
US-20220220117-A1 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2022-07-14 US disclosed
EP-2718283-A1 INDAZOLE- AND PYRROLOPYRIDINE-DERIVATIVE AND PHARMACEUTICAL USE THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2014-04-16 EP disclosed
WO-2012169649-A1 INDAZOLE- AND PYRROLOPYRIDINE-DERIVATIVE AND PHARMACEUTICAL USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-12-13 WO disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 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-20220220117-A1 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE ADORA2A, ADORA2B, ADORA3 ALDH1A1 815/4885POLB 1812/4885HPGD 2094/4885
US-12060357-B2 9-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use ADORA2A, ADORA2B, ADORA3 ALDH1A1 815/4885POLB 1812/4885HPGD 2094/4885
US-20230054411-A1 7-, 8-, and 10-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE ADORA2A, ADORA2B, ADORA3 ALDH1A1 1156/4885POLB 2229/4885HPGD 2389/4885
US-12263171-B2 7-, 8-, and 10-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use ADORA2A, ADORA2B, ADORA3 ALDH1A1 1156/4885POLB 2229/4885HPGD 2389/4885

“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.