SCHEMBL669873

SCHEMBL669873

C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@](O)(Cl)c1ccnc2ccc(OC)cc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.64
KDM4E B2RXH2 8/20 0.64
ALDH1A1 P00352 5/20 0.64
SLC22A1 O15245 3/20 0.64
ABCB11 O95342 3/20 0.64
ABCB1 P08183 3/20 0.64
ADRA2A P08913 3/20 0.64
SLC6A4 P31645 3/20 0.64
OPRM1 P35372 3/20 0.64
SCN1A P35498 3/20 0.64
KCNH2 Q12809 3/20 0.64
SCN2A Q99250 3/20 0.64
SCN3A Q9NY46 3/20 0.64
CYP3A4 P08684 3/20 0.64
HSD17B10 Q99714 3/20 0.64
SLC22A2 O15244 2/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
THRB P10828 1/20 0.64
ABCC4 O15439 1/20 0.64

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
SCHEMBL22862890 0.91 KDM4E (0.66) CYP2D6KDM4EALDH1A1SLC22A1ABCB11
SCHEMBL4305 0.90 CYP2D6 (0.63) CYP2D6KDM4EALDH1A1SLC22A1ABCB11
SCHEMBL15239796 0.89 KDM4E (0.64) CYP2D6KDM4EALDH1A1SLC22A1ABCB11
Sulfuric Acid SCHEMBL19100311 0.87 KDM4E (0.66) CYP2D6KDM4EALDH1A1SLC22A1ABCB11
SCHEMBL1612723 0.86 CYP2D6 (0.60) CYP2D6KDM4EALDH1A1SLC22A1ABCB11
SCHEMBL8863202 0.86 CYP2D6 (0.62) CYP2D6KDM4EALDH1A1SLC22A1ABCB11
Sulfuric Acid SCHEMBL9614123 0.85 KDM4E (0.67) CYP2D6KDM4EALDH1A1SLC22A1ABCB11
SCHEMBL2150774 0.85 KDM4E (0.61) CYP2D6KDM4EALDH1A1SLC22A1ABCB11
SCHEMBL29645230 0.85 CYP2D6 (0.59) CYP2D6KDM4EALDH1A1SLC22A1ABCB11
SCHEMBL4278098 0.84 CYP2D6 (0.65) CYP2D6KDM4EALDH1A1SLC22A1ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118317951-A Phthalazine derivatives as pyruvate kinase modulators 西特瑞治疗有限公司 2024-07-09 CN claimed
CN-111836906-A Classifier for identifying robust sepsis subtypes 斯坦福大学托管董事会 2020-10-27 CN claimed
US-9957253-B2 Triaminopyrimidine compounds useful for preventing or treating malaria MMV MEDICINES FOR MALARIA VENTURE (CH) 2018-05-01 US claimed
EP-3137455-A1 TRIAMINOPYRIMIDINE COMPOUNDS USEFUL FOR PREVENTING OR TREATING MALARIA MMV Medicines for Malaria Venture (CH) 2017-03-08 EP claimed
US-20170050951-A1 TRIAMINOPYRIMIDINE COMPOUNDS USEFUL FOR PREVENTING OR TREATING MALARIA ASTRAZENECA INDIA PRIVATE LIMITED (IN) 2017-02-23 US claimed
WO-2015165660-A1 TRIAMINOPYRIMIDINE COMPOUNDS USEFUL FOR PREVENTING OR TREATING MALARIA MMV MEDICINES FOR MALARIA VENTURE (CH) 2015-11-05 WO claimed
WO-2007008665-A1 COMPOSITION AND THE USE THEREOF FOR THE TREATMENT OF VIRAL INFECTIONS PHOENIX BIOSCIENCES, INC. (US) 2007-01-18 WO claimed
US-6914128-B1 Comprises immunoglobulin for treatment and prevention of inflammatory and autoimmune diseases ABBOTT GMBH & CO. KG (DE) 2005-07-05 US claimed
EP-0699079-B1 BIOACTIVE AND/OR TARGETED DENDRIMER CONJUGATES COMPRISING GENETIC MATERIALS DOW CHEMICAL CO (US) 2004-09-29 EP claimed
EP-1071409-B1 USE OF ORGANOPHOSPHORIC COMPOUNDS FOR THE THERAPEUTIC AND PREVENTATIVE TREATMENT OF INFECTIONS BIOAGENCY AG (DE) 2003-10-15 EP claimed
US-6331441-B1 FOR HIGH THROUGHPUT ANALYSIS OF MULTIPLE ANALYTES IN COMPLEX MIXTURES OF SAMPLE SUBSTANCES, COMBINATORIAL ANALYSIS GENOMETRIX GENOMICS INCORPORATED 2001-12-18 US claimed
EP-0361894-B1 Loading and controlled release of amphiphatic molecules to and from liposomes YISSUM RES DEV CO (IL) 1994-11-09 EP claimed
EP-0422097-B1 METHOD OF INHIBITING THE ACTIVITY OF HUMAN IMMUNODEFICIENCY VIRUS (HIV) IN VIVO DAVIS MICHAEL H (US) 1994-04-27 EP claimed
US-20240238388-A1 METHODS FOR TREATING AND PREVENTING NEUTROPHIL-DERIVED NET TOXICITY AND THROMBOSIS CHILDREN'S MEDICAL CENTER CORPORATION (US) 2024-07-18 US disclosed
CN-118317951-A Phthalazine derivatives as pyruvate kinase modulators 西特瑞治疗有限公司 2024-07-09 CN disclosed
US-20240209369-A1 COMPLEMENT COMPONENT C3 IRNA COMPOSITIONS AND METHODS OF USE THEREOF BANK OF AMERICA, N.A. 2024-06-27 US disclosed
WO-1987000195-A1 ANIMAL CELL CULTURE CELLTECH LIMITED (GB) 1987-01-15 WO disclosed
WO-1986005807-A1 TRANSFORMED MYELOMA CELL-LINE AND A PROCESS FOR THE EXPRESSION OF A GENE CODING FOR A EUKARYOTIC POLYPEPTIDE EMPLOYING SAME CELLTECH LIMITED (GB) 1986-10-09 WO disclosed
EP-0025721-B1 A MEDICATION FOR ORAL ADMINISTRATION AND PROCESS FOR ITS MANUFACTURE HOLLAND, Charles Cottrell (AU) 1984-02-01 EP disclosed
EP-0025721-A1 A medication for oral administration and process for its manufacture HOLLAND, Charles Cottrell (AU) 1981-03-25 EP 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-20170050951-A1 TRIAMINOPYRIMIDINE COMPOUNDS USEFUL FOR PREVENTING OR TREATING MALARIA DPYD, TYMP, DHFR CYP2D6 271/4885KDM4E 2751/4885ALDH1A1 1085/4885
US-20240238388-A1 METHODS FOR TREATING AND PREVENTING NEUTROPHIL-DERIVED NET TOXICITY AND THROMBOSIS ELANE, MPO, MMP8 CYP2D6 4161/4885KDM4E 3423/4885ALDH1A1 994/4885

“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.