SCHEMBL44824

SCHEMBL44824

S=C1NCc2ccccc2N1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 5/20 0.53
MAPT P10636 3/20 0.52
NPC1 O15118 2/20 0.52
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HSP90AA1 P07900 1/20 0.52
THRB P10828 1/20 0.52
HK1 P19367 1/20 0.52
MAPK1 P28482 1/20 0.52
RECQL P46063 1/20 0.52
RAB9A P51151 1/20 0.52
GALK1 P51570 1/20 0.52
BLM P54132 1/20 0.52
HKDC1 Q2TB90 1/20 0.52
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GAA P10253 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
AHR P35869 1/20 0.42

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
SCHEMBL4841914 0.79 MAPT (0.48) HTR5AMAPTNPC1KDM4EMEN1
SCHEMBL8558277 0.79 ALOX15 (0.50) HTR5AMAPTNPC1KDM4EMEN1
SCHEMBL310398 0.77 HTR5A (0.57) HTR5AMAPTNPC1KDM4EMEN1
SCHEMBL30668800 0.76
SCHEMBL2041999 0.76
SCHEMBL1828551 0.76
SCHEMBL11441092 0.76 HTR5A (0.55) HTR5AMAPTNPC1KDM4EMEN1
SCHEMBL5740686 0.74 ALOX15 (0.57) HTR5AMAPTNPC1KDM4EMEN1
SCHEMBL45104 0.74 HTR5A (0.53) HTR5AMAPTNPC1KDM4EMEN1
SCHEMBL10061748 0.74 HTR5A (0.53) HTR5AMAPTNPC1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016029146-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE UNIVERSITY OF WASHINGTON (US) 2016-02-25 WO claimed
US-20020032262-A1 2-aminoarylmethylamine solid support templated for preparation of highly functionalized heterocycle compounds ZHANG JINFANG (US) 2002-03-14 US claimed
US-20260008777-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE BRISTOL-MYERS SQUIBB COMPANY (US) 2026-01-08 US disclosed
CN-114040911-B As NAV1.8 2, 3-Dihydro-quinazoline Compounds as inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2024-10-22 CN disclosed
US-20240018125-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS ERMIUM THERAPEUTICS (FR) 2024-01-18 US disclosed
CN-116568675-A Cyclic isothiourea derivatives as CXCR4 modulators 埃尔米乌治疗公司 2023-08-08 CN disclosed
EP-4217353-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS Ermium Therapeutics (FR) 2023-08-02 EP disclosed
US-20230103791-A1 2,3-DIHYDROQUINAZOLIN COMPOUNDS AS NAV1.8 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-04-06 US disclosed
EP-3990436-A1 2,3-DIHYDROQUINAZOLIN COMPOUNDS AS NAV1.8 INHIBITORS GlaxoSmithKline Intellectual Property Development Ltd (GB) 2022-05-04 EP disclosed
WO-2022064075-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS ERMIUM THERAPEUTICS (FR) 2022-03-31 WO disclosed
CN-114040911-A As NAV1.8 inhibitors of 2, 3-dihydroquinazoline compounds 葛兰素史密斯克莱知识产权发展有限公司 2022-02-11 CN disclosed
US-5043327-A Treating mammals with congestive heart failure JANSSEN PHARMACEUTICA N.V. (BE) 1991-08-27 US disclosed
CN-1051560-A Contractile and relaxing force enhancing 3, 5-dihydroimidazo [2, 1-b ] quinazolin-2 (1H) -one derivatives JANSSEN PHARMACEUTICA NV (BE) 1991-05-22 CN disclosed
EP-0406958-A2 Positive inotropic and lusitropic 3,5-dihydroimidazo[2,1-b]quinazolin-2(1H)-one derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1991-01-09 EP disclosed
US-4738964-A Method of suppressing the immune system comprising administering 5H-thiazolo[2,3-b]quinazoline-3(2H)-one PENNWALT CORPORATION (US) 1988-04-19 US disclosed
US-4588812-A Substituted 2,3-dihydro-5H-thiazolo[2,3,-b]quinazoline derivatives PENNWALT CORPORATION (US) 1986-05-13 US disclosed
US-4228167-A Diuretic and vasodilating tricyclic quinazolines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-10-14 US disclosed
US-4202974-A Process for preparing 3,4-dihydro-2(1H)-quinazolinone derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-05-13 US disclosed
US-3997564-A ANTIINFLAMMATORY SANDOZ, INC. (US) 1976-12-14 US disclosed
US-3856960-A METHOD OF INHIBITING INFLAMMATION USING 1,4-DISUBSTITUTED-METHYLENEDIOXY-2(1H)-QUINAZOLINONES AND QUINAZOLINTHIONES SANDOZ AG 1974-12-24 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-20260008777-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE PTPRO, PTPRC, PTPRR HTR5A 2312/4885MAPT 451/4885NPC1 1427/4885
US-20230103791-A1 2,3-DIHYDROQUINAZOLIN COMPOUNDS AS NAV1.8 INHIBITORS SCN8A, SCN1A, SCN1B HTR5A 469/4885MAPT 215/4885NPC1 1212/4885
US-20240018125-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS CXCR4, CXCR1, CXCL12 HTR5A 2920/4885MAPT 4710/4885NPC1 2463/4885

“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.