SCHEMBL4919744

SCHEMBL4919744

CCCOc1ncncn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.35
SMN1; SMN2 Q16637 4/20 0.33
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 4/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
ACACB O00763 3/20 0.33
HPGD P15428 3/20 0.33
HSD17B10 Q99714 3/20 0.33
LTA4H P09960 1/20 0.33
TP53 P04637 2/20 0.33
GAA P10253 2/20 0.33
CYP1A2 P05177 2/20 0.33
MAPT P10636 3/20 0.32
MAPK1 P28482 2/20 0.32
CYP3A4 P08684 1/20 0.32
HSP90AA1 P07900 1/20 0.32
ENPP1 P22413 1/20 0.32
HTT P42858 3/20 0.31
CA12 O43570 1/20 0.31

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
SCHEMBL4924806 0.88 CYP2D6 (0.46) CYP2D6SMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL4201803 0.86 CYP2D6 (0.41) CYP2D6SMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL28717776 0.84 NR5A1 (0.42) CYP2D6SMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL3662611 0.84 NR5A1 (0.42) CYP2D6SMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL436762 0.79
SCHEMBL4280446 0.77 NPC1 (0.46) CYP2D6SMN1; SMN2KDM4EALDH1A1NPC1
Iodide SCHEMBL29457290 0.77 NQO1 (0.38) SMN1; SMN2ACACBCYP1A2MAPK1HSP90AA1
SCHEMBL27621001 0.75 ALDH1A1 (0.39) ALDH1A1GAAMAPK1HSP90AA1KMT2A
SCHEMBL16671916 0.73 KDM4E (0.32) KDM4EGAAMAPTHSP90AA1MEN1
SCHEMBL15677660 0.73 RXRA (0.37) SMN1; SMN2ALDH1A1NPC1RAB9AACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116110513-A Molecular design method and application of triazine desulfurizing agent 中国石油化工股份有限公司 2023-05-12 CN disclosed
CN-116099330-A Method for absorbing hydrogen sulfide gas by using triazine compound 中国石油化工股份有限公司 2023-05-12 CN disclosed
WO-2022131284-A1 FLAME RETARDANT AGENT COMPOSITION, FLAME-RETARDANT RESIN COMPOSITION, AND MOLDED BODY 株式会社ADEKA 2022-06-23 WO disclosed
WO-2021153414-A1 THERMOPLASTIC POLYESTER RESIN COMPOSITION AND MOLDED ARTICLE 東レ株式会社 2021-08-05 WO disclosed
CN-109400543-A Triazine precursor, method for preparing triazine precursor and application of triazine precursor 暨南国际大学 2019-03-01 CN disclosed
CN-104662066-B The manufacturing method of polyrotaxane 住友精化株式会社 2018-05-18 CN disclosed
US-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PFIZER INC. 2008-08-21 US disclosed
EP-1866317-A1 4-PIPERAZINOTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2007-12-19 EP disclosed
WO-2006103555-A1 4-PIPERAZINOTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-10-05 WO disclosed
CN-1069644-C Novel silicone derivatives,their production and use CHIBA FLOUR MILLING (JP) 2001-08-15 CN disclosed
CN-1145907-A Novel silicone derivatives,their production and use CHIBA FLOUR MILLING (JP) 1997-03-26 CN disclosed
US-5047514-A Bireactive primary disazo dyes containing 1-amino-8-hydroxynaphthalene-3,6 Disulfonic acid as coupling component CIBA-GEIGY CORPORATION (US) 1991-09-10 US disclosed
US-4713082-A Process for dyeing or printing textile fibre materials with reactive dye containing vinyl sulfonyl-type group and chloro-triazinyl amino group CIBA-GEIGY CORPORATION (US) 1987-12-15 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 (1 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-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PF4, TBXA2R, P2RY4 CYP2D6 113/4885SMN1; SMN2 3818/4885KDM4E 2775/4885

“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.