Sugi Predict

Sugi Predict / Compounds / SCHEMBL3776403

SCHEMBL3776403

SCHEMBL3776403

c1ccc2nc(N3CCCCC3)ncc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 2/20 0.71
▸ HRH4 Q9H3N8 1/20 0.71
▸ HCRTR1 O43613 3/20 0.61
▸ HCRTR2 O43614 3/20 0.61
▸ L3MBTL1 Q9Y468 4/20 0.54
▸ HPGD P15428 3/20 0.54
▸ HSD17B10 Q99714 3/20 0.54
▸ GLA P06280 2/20 0.54
▸ GAA P10253 2/20 0.54
▸ TSHR P16473 2/20 0.54
▸ KDM4E B2RXH2 4/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ LMNA P02545 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ HCAR2 Q8TDS4 1/20 0.49
▸ MAPK1 P28482 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ CASP1 P29466 1/20 0.48

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
SCHEMBL31691646 1.00 HTR3A (0.71) HTR3AHRH4HCRTR1HCRTR2L3MBTL1
SCHEMBL5508534 0.98 HTR3A (0.73) HTR3AHRH4HCRTR1HCRTR2L3MBTL1
SCHEMBL29648042 0.98 HTR3A (0.73) HTR3AHRH4HCRTR1HCRTR2L3MBTL1
SCHEMBL30824484 0.95 HTR3A (0.73) HTR3AHRH4HCRTR1HCRTR2L3MBTL1
SCHEMBL6770810 0.84 CHRNB2 (0.60) HTR3AHRH4HCRTR1HCRTR2HPGD
SCHEMBL3551319 0.84 HTR3A (0.69) HTR3AHRH4HCRTR1HCRTR2HCAR2
SCHEMBL603314 0.83 HTR3A (1.00) HTR3AHRH4HCRTR1HCRTR2HSD17B10
SCHEMBL29460463 0.83 HTR3A (0.67) HTR3AHRH4HCRTR1HCRTR2L3MBTL1
SCHEMBL2420211 0.83 HTR3A (0.67) HTR3AHRH4HCRTR1HCRTR2L3MBTL1
SCHEMBL1029333 0.83 HTR3A (0.67) HTR3AHRH4HCRTR1HCRTR2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4542132-A HYDROXY SUBSTITUTED PFIZER INC. (US) 1985-09-17 — — US claimed
CN-115572300-A Synthesis method of sulfonamide substituted polycyclic quinazolinone compound 江苏理工学院 2023-01-06 — — CN disclosed
EP-3342770-B1 QUINAZOLINE INHIBITORS OF ACTIVATING MUTANT FORMS OF EPIDERMAL GROWTH FACTOR RECEPTOR ASTRAZENECA AB (SE) 2022-03-30 — — EP disclosed
EP-3342770-A1 QUINAZOLINE INHIBITORS OF ACTIVATING MUTANT FORMS OF EPIDERMAL GROWTH FACTOR RECEPTOR AstraZeneca AB (SE) 2018-07-04 — — EP disclosed
CN-105209456-B The quinazoline inhibitor of the activated mutated forms of EGF-R ELISA 阿斯利康(瑞典)有限公司 2018-05-08 — — CN disclosed
US-20180016259-A1 QUINAZOLINE INHIBITORS OF ACTIVATING MUTANT FORMS OF EPIDERMAL GROWTH FACTOR RECEPTOR ASTRAZENECA AB (SE) 2018-01-18 — — US disclosed
EP-2964638-B1 QUINAZOLINE INHIBITORS OF ACTIVATING MUTANT FORMS OF EPIDERMAL GROWTH FACTOR RECEPTOR ASTRAZENECA AB (SE) 2017-08-09 — — EP disclosed
US-9718806-B2 Quinazoline inhibitors of activating mutant forms of epidermal growth factor receptor ASTRAZENECA AB (SE) 2017-08-01 — — US disclosed
US-20160340342-A1 QUINAZOLINE INHIBITORS OF ACTIVATING MUTANT FORMS OF EPIDERMAL GROWTH FACTOR RECEPTOR ASTRAZENECA AB (SE) 2016-11-24 — — US disclosed
US-9375432-B2 Quinazoline inhibitors of activating mutant forms of epidermal growth factor receptor ASTRAZENECA AB (SE) 2016-06-28 — — US disclosed
CN-1856487-A Piperidyl-quinazoline derivatives as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2006-11-01 — — CN disclosed
CN-1856487-A Piperidyl-quinazoline derivatives as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2006-11-01 — — CN disclosed
EP-0892795-B1 PIPERIDINYLPYRAMIDINE DERIVATIVES SUMITOMO PHARMA (JP) 2003-01-08 — — EP disclosed
EP-0135318-B1 QUINAZOLINE CARDIAC STIMULANTS Pfizer Limited (GB) 1988-07-13 — — EP disclosed
EP-0094766-B1 QUINAZOLINE CARDIAC STIMULANTS Pfizer Limited (GB) 1986-12-30 — — EP disclosed
EP-0135318-A1 Quinazoline cardiac stimulants Pfizer Limited (GB) 1985-03-27 — — EP disclosed
US-4489075-A Cyclic sulfonamidoalkyl substituted 4-piperidinoquinazoline cardiac stimulants PFIZER INC. (US) 1984-12-18 — — US disclosed
EP-0094766-A2 Quinazoline cardiac stimulants Pfizer Limited (GB) 1983-11-23 — — EP disclosed
EP-0034471-A1 Piperidinoquinazolines and a process for the preparation thereof ORION-YHTYMÄ OY (FI) 1981-08-26 — — EP disclosed
US-4243666-A HYPOTENSIVE AGENTS PFIZER INC. (US) 1981-01-06 — — 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 (2 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-20180016259-A1 QUINAZOLINE INHIBITORS OF ACTIVATING MUTANT FORMS OF EPIDERMAL GROWTH FACTOR RECEPTOR EGFR, ERBB2, ABL1 HTR3A 1740/4885HRH4 465/4885HCRTR1 4878/4885
US-20160340342-A1 QUINAZOLINE INHIBITORS OF ACTIVATING MUTANT FORMS OF EPIDERMAL GROWTH FACTOR RECEPTOR EGFR, ABL1, ERBB2 HTR3A 1611/4885HRH4 396/4885HCRTR1 4881/4885

“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.