SCHEMBL9218101

SCHEMBL9218101

Cc1nc(-c2cc3ccccc3c(C)n2)cc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.50
CYP1A2 P05177 5/20 0.46
GPR3 P46089 1/20 0.46
RAC1 P63000 2/20 0.44
ALDH1A1 P00352 9/20 0.42
HSD17B10 Q99714 4/20 0.42
HIF1A Q16665 1/20 0.42
CYP1B1 Q16678 1/20 0.42
HPGD P15428 4/20 0.42
NUDT1 P36639 1/20 0.42
KDM4E B2RXH2 3/20 0.41
GAA P10253 2/20 0.41
TERT O14746 1/20 0.39
TSHR P16473 2/20 0.38
TRPM4 Q8TD43 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
STAT3 P40763 1/20 0.38

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
SCHEMBL7823188 0.87 ADORA3 (0.47) CYP2A6GPR3RAC1ALDH1A1HSD17B10
SCHEMBL11361354 0.87 ADORA3 (0.52) CYP2A6CYP1A2ALDH1A1HIF1AHPGD
SCHEMBL11361585 0.87 CCR1 (0.57) CYP2A6CYP1A2GPR3RAC1ALDH1A1
SCHEMBL31197184 0.84 ALDH1A1 (0.54) CYP2A6CYP1A2ALDH1A1HSD17B10HPGD
SCHEMBL30112574 0.84 ALDH1A1 (0.51) CYP2A6CYP1A2RAC1ALDH1A1HPGD
SCHEMBL30112644 0.81 TP53 (0.48) RAC1ALDH1A1HPGDKDM4ETDP1
SCHEMBL27992753 0.81 RAC1 (0.46) RAC1ALDH1A1HPGDKDM4EGAA
SCHEMBL30112646 0.81 CYP19A1 (0.47) RAC1ALDH1A1HPGDKDM4ETDP1
SCHEMBL637928 0.81 CYP2A6 (0.50) CYP2A6CYP1A2GPR3ALDH1A1HSD17B10
SCHEMBL19009532 0.80 MEN1 (0.54) RAC1ALDH1A1HPGDKDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105294776-A Method for preparing symmetric dimer of nitrogen heterocyclic ring aromatic compound UNIV LANZHOU 2016-02-03 CN disclosed
US-9236613-B2 Cyclic compound, its metal complex and modified metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-01-12 US disclosed
US-9236613-B2 Cyclic compound, its metal complex and modified metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-01-12 US disclosed
US-9130233-B2 Metal complex, modified compound thereof and useful compound thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-09-08 US disclosed
US-9130233-B2 Metal complex, modified compound thereof and useful compound thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-09-08 US disclosed
EP-2239263-B1 CYCLIC COMPOUND, ITS METAL COMPLEX, AND MODIFIED METAL COMPLEX SUMITOMO CHEMICAL CO (JP) 2014-01-15 EP disclosed
US-8546291-B2 Cyclic compound, its metal complex and modified metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-10-01 US disclosed
US-8546291-B2 Cyclic compound, its metal complex and modified metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-10-01 US disclosed
US-20130210615-A1 METAL COMPLEX, MODIFIED COMPOUND THEREOF AND USEFUL COMPOUND THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-08-15 US disclosed
US-20130210615-A1 METAL COMPLEX, MODIFIED COMPOUND THEREOF AND USEFUL COMPOUND THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-08-15 US disclosed
EP-1308452-B1 Oligonucleotide labeling reactants based on acyclonucleosides and conjugates derived thereof WALLAC OY (FI) 2008-03-19 EP disclosed
US-7282581-B2 Oligonucleotide labeling reactants based on acyclonucleosides and conjugates derived thereof WALLAC OY (FI) 2007-10-16 US disclosed
US-7282581-B2 Oligonucleotide labeling reactants based on acyclonucleosides and conjugates derived thereof WALLAC OY (FI) 2007-10-16 US disclosed
US-7279233-B2 Light-emitting material and light-emitting device CANON KABUSHIKI KAISHA (JP) 2007-10-09 US disclosed
US-7279233-B2 Light-emitting material and light-emitting device CANON KABUSHIKI KAISHA (JP) 2007-10-09 US disclosed
US-5432101-A Complex consists of biologically active molecule associated by coupling or adsorption with the complex COMPAGNIE ORIS INDUSTRIE SA (FR) 1995-07-11 US disclosed
US-5220012-A Macropolycyclic rare earth complexes and application as fluorescent tracers COMPAGNIE ORIS INDUSTRIE SA (FR) 1993-06-15 US disclosed
EP-0180492-B1 MACROPOLYCYCLIC COMPLEXES OF RARE EARTH METALS AND APPLICATION AS FLUORESCENT LABELS CIS BIO INTERNATIONAL (FR) 1993-06-02 EP disclosed
US-4927923-A IMMUNOLOGY COMPAGNIE ORIS INDUSTRIES (FR) 1990-05-22 US disclosed
EP-0180492-A1 Macropolycyclic complexes of rare earth metals and application as fluorescent labels CIS BIO INTERNATIONAL (FR) 1986-05-07 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 (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-20130210615-A1 METAL COMPLEX, MODIFIED COMPOUND THEREOF AND USEFUL COMPOUND THEREOF C5, PRMT1, C1QBP CYP2A6 1393/4885CYP1A2 682/4885GPR3 3333/4885

“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.