SCHEMBL1121576

SCHEMBL1121576

Fc1[c]c2ccccc2s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.35
CHEK1 O14757 1/20 0.31
PDGFRA P16234 1/20 0.31
CDK5 Q00535 1/20 0.31
DYRK1A Q13627 1/20 0.31
LRRK2 Q5S007 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
IKBKB O14920 1/20 0.31
LIMK1 P53667 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 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
SCHEMBL218556 0.71 GPR3 (0.35) GPR3
SCHEMBL2775439 0.71 GPR3 (0.35) GPR3
SCHEMBL550941 0.71 GPR3 (0.35) GPR3CHEK1PDGFRACDK5DYRK1A
SCHEMBL4600212 0.69 ADORA1 (0.34) DYRK1A
SCHEMBL2965431 0.68 ALDH1A1 (0.33) GPR3
SCHEMBL4463876 0.67 CA4 (0.32) GPR3
SCHEMBL8560952 0.65 ALDH1A1 (0.45)
SCHEMBL10415366 0.64 LTA4H (0.41)
SCHEMBL2968265 0.62 ALDH1A1 (0.35)
SCHEMBL547394 0.62 APP (0.46) IKBKB

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
EP-1685100-B1 NOVEL 1, 3-DISUBSTITUTED AZETIDINE DERIVATIVES FOR USE AS 5HT2A RECEPTOR LIGANDS MERCK SHARP & DOHME (GB) 2011-02-09 EP disclosed
US-7521454-B2 Adenine derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-04-21 US disclosed
EP-1386923-B1 NOVEL ADENINE DERIVATIVES DAINIPPON SUMITOMO PHARMA CO (JP) 2008-08-13 EP disclosed
US-20070037832-A1 2-butylamino-8-hydroxy-9-(6-methyl-3-pyridylmethyl)adenine; interferon inducing activity; antiviral, antiallergic agent; immune response modulator; hepatitis B and C, asthma, atopic dermatitis DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-02-15 US disclosed
US-7157465-B2 Adenine derivatives DAINIPPON SIMITOMO PHARMA CO., LTD. (JP) 2007-01-02 US disclosed
US-7094777-B2 5-HT2A receptor ligands MERK SHARP & DOHME LTD. 2006-08-22 US disclosed
EP-1685100-A1 NOVEL 1, 3-DISUBSTITUTED AZETIDINE DERIVATIVES FOR USE AS 5HT2A RECEPTOR LIGANDS Merck Sharp & Dohme Limited (GB) 2006-08-02 EP disclosed
CN-1250548-C Novel adenine derivatives SUMITOMO PHARMA (JP) 2006-04-12 CN disclosed
WO-2005047246-A1 NOVEL 1, 3-DISUBSTITUTED AZETIDINE DEIVATIVES FOR USE AS 5HT2A RECEPTOR LIGANDS MERCK SHARP & DOHME LIMITED (GB) 2005-05-26 WO disclosed
US-20050101586-A1 Novel 5-HT2A receptor ligands MERCK SHARP & DOHME LTD. (GB) 2005-05-12 US disclosed
CN-1512992-A Novel adenine derivatives ס����ҩ��ʽ���� 2004-07-14 CN disclosed
US-20040132748-A1 Novel adenne derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-08 US disclosed
EP-1386923-A1 NOVEL ADENINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-02-04 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 (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-20050101586-A1 Novel 5-HT2A receptor ligands HTR2A, HTR1A, HTR5A GPR3 156/4885CHEK1 3925/4885PDGFRA 684/4885
US-20040132748-A1 Novel adenne derivatives IRF3, IFNAR1, STING1 GPR3 497/4885CHEK1 2085/4885PDGFRA 4442/4885
US-20070037832-A1 2-butylamino-8-hydroxy-9-(6-methyl-3-pyridylmethyl)adenine; interferon inducing activity; antiviral, antiallergic agent; immune response modulator; hepatitis B and C, asthma, atopic dermatitis IRF3, IFNAR1, IFNG GPR3 160/4885CHEK1 4024/4885PDGFRA 3743/4885

“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.