SCHEMBL632895

SCHEMBL632895

Nc1ccc(OCc2ccccc2)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.57
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
NPC1 O15118 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
MAOB P27338 2/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
MAOA P21397 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
EGFR P00533 6/20 0.52
ERBB2 P04626 5/20 0.52
CYP19A1 P11511 2/20 0.49
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
SYK P43405 1/20 0.48
LTA4H P09960 1/20 0.47
MAPK14 Q16539 1/20 0.47

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
SCHEMBL4194593 0.86 SYK (0.63) MRGPRX4RAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL14854821 0.86 MRGPRX4 (0.55) MRGPRX4RAB9ASMN1; SMN2NPC1MAOB
SCHEMBL6827590 0.85 MRGPRX4 (0.64) MRGPRX4MAOB
SCHEMBL5659691 0.84 MAOB (0.58) RAB9ASMN1; SMN2MAOBGAAMAPT
SCHEMBL11360859 0.83 NPC1 (0.56) MRGPRX4RAB9ASMN1; SMN2NPC1MAOB
SCHEMBL14855309 0.83 CCR5 (0.52) MRGPRX4RAB9ASMN1; SMN2NPC1MAOB
SCHEMBL14854665 0.83 MRGPRX4 (0.48) MRGPRX4RAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL31193398 0.83 MAOB (0.56) MRGPRX4RAB9ASMN1; SMN2NPC1MAOB
SCHEMBL14855243 0.83 MRGPRX4 (0.48) MRGPRX4RAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL3320471 0.83 MAOB (0.56) MRGPRX4RAB9ASMN1; SMN2NPC1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278446-B2 reacting 4-amino-6-chloro-pyrimidine-5-carbaldehyde with 4-benzyloxy-3-chloro-phenylamine in an aqueous solvent and a catalytic amount of hydrochloric acid, to providw 4-amino-6-(4-benzyloxy-3-chloro-phenylamino)-pyrimidine-5-carbaldehyde, then oximination with (2-morpholin-4-yl-ethyl)-hydroxylamine JANSSEN PHARMACEUTICA N.V. (BE) 2012-10-02 US claimed
US-20100197915-A1 LAPATINIB INTERMEDIATES TEVA PHARMACEUTICALS USA, INC. 2010-08-05 US claimed
WO-2010017387-A2 LAPATINIB INTERMEDIATES TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2010-02-11 WO claimed
US-20080249304-A1 PROCESS FOR PREPARING SUBSTITUTED DIAMINOPYRIMIDINE OXIMES JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-09 US claimed
WO-2008073519-A1 PROCESS FOR PREPARING SUBSTITUTED DIAMINOPYRIMIDINE OXIMES JANSSEN PHARMACEUTICA, N.V. (BE) 2008-06-19 WO claimed
US-7335656-B2 Stent with a disposed traiazine compound such as 6-(3-Chloro-4-methoxy-phenoxy)-N-cycloheptyl-N'-methyl-N'-(1-methyl-piperidin-4-yl)-[1,3,5]triazine-2,4-diamine for inhibiting smooth muscle proliferation; restenosis and atherosclerosis REDDY US THERAPEUTICS, INC. (US) 2008-02-26 US claimed
EP-1883631-A1 METHODS OF SYNTHESIZING SUBSTITUTED 3-CYANOQUINOLINES AND INTERMEDIATES THEREOF Wyeth (US) 2008-02-06 EP claimed
US-20070122444-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2007-05-31 US claimed
WO-2006127207-A1 METHODS OF SYNTHESIZING SUBSTITUTED 3-CYANOQUINOLINES AND INTERMEDIATES THEREOF WYETH (US) 2006-11-30 WO claimed
US-20060270668-A1 Methods of synthesizing substituted 3-cyanoquinolines and intermediates thereof WYETH (US) 2006-11-30 US claimed
US-20060258641-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2006-11-16 US claimed
US-20240067600-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) UNIVERSITY OF KANSAS (US) 2024-02-29 US disclosed
US-20230357134-A1 AGENTS FOR USE IN THE TREATMENT OF AMYLOIDOSIS UCL BUSINESS LTD (GB) 2023-11-09 US disclosed
US-20230357134-A1 AGENTS FOR USE IN THE TREATMENT OF AMYLOIDOSIS UCL BUSINESS LTD (GB) 2023-11-09 US disclosed
US-20230357134-A1 AGENTS FOR USE IN THE TREATMENT OF AMYLOIDOSIS UCL BUSINESS LTD (GB) 2023-11-09 US disclosed
WO-1996009294-A1 SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE IN MEDICINE THE WELLCOME FOUNDATION LIMITED (GB) 1996-03-28 WO disclosed
EP-0113922-A2 Process for the manufacture of cationic methine dyes BAYER AG (DE) 1984-07-25 EP disclosed
EP-0113920-A2 Process for the manufacture of stable solutions of cationic methine dyes, and their use in spin dyeing BAYER AG (DE) 1984-07-25 EP disclosed
EP-0113921-A2 Process for the manufacture of stable solutions of cationic methine dyes BAYER AG (DE) 1984-07-25 EP disclosed
US-3956264-A Basic azo dyestuffs having indolyl-methyleneamino substituent in the diazo component BAYER AKTIENGESELLSCHAFT (DT) 1976-05-11 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 (7 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-20100197915-A1 LAPATINIB INTERMEDIATES ERBB2, ABL1, EGFR MRGPRX4 3984/4885RAB9A 2886/4885SMN1; SMN2 4220/4885
US-20240067600-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) MTCH2, TIMM50, TIMM10 MRGPRX4 3781/4885RAB9A 1640/4885SMN1; SMN2 3138/4885
US-20070122444-A1 Medical devices employing triazine compounds and compositions thereof AREG, TGFB1, TGFB2 MRGPRX4 1168/4885RAB9A 4747/4885SMN1; SMN2 3890/4885
US-20060270668-A1 Methods of synthesizing substituted 3-cyanoquinolines and intermediates thereof HCCS, CYP3A7, QPCT MRGPRX4 2354/4885RAB9A 2459/4885SMN1; SMN2 3385/4885
US-20060258641-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS MRGPRX4 2008/4885RAB9A 4709/4885SMN1; SMN2 4172/4885
US-20230357134-A1 AGENTS FOR USE IN THE TREATMENT OF AMYLOIDOSIS TTR, C1R, APOB MRGPRX4 2841/4885RAB9A 3795/4885SMN1; SMN2 1033/4885
US-20080249304-A1 PROCESS FOR PREPARING SUBSTITUTED DIAMINOPYRIMIDINE OXIMES DHPS, DPYD, DCPS MRGPRX4 4027/4885RAB9A 4505/4885SMN1; SMN2 1226/4885

“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.