SCHEMBL4478025

SCHEMBL4478025

Clc1[c]c2ccscc-2c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.36
CYP2E1 P05181 1/20 0.35
CYP2B6 P20813 1/20 0.35
KCNH2 Q12809 1/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
PRMT6 Q96LA8 1/20 0.32
IKBKB O14920 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
TDO2 P48775 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
SCHEMBL4463698 0.75 CYP2A6 (0.36) CYP2A6CYP2E1CYP2B6KCNH2PDGFRB
SCHEMBL4459971 0.71 CYP2A6 (0.38) CYP2A6CYP2E1CYP2B6PDGFRBPDGFRA
SCHEMBL276590 0.62
SCHEMBL2125063 0.62 CYP2A6 (0.72) CYP2A6CYP2E1CYP2B6KCNH2PDGFRB
SCHEMBL3576853 0.61 CYP2A6 (0.43) CYP2A6CYP2E1CYP2B6KCNH2PDGFRB
SCHEMBL8190384 0.60 CYP2A6 (0.38) CYP2A6CYP2E1CYP2B6KCNH2PDGFRB
SCHEMBL28156360 0.60
SCHEMBL696796 0.60 CYP2A6 (0.48) CYP2A6CYP2E1CYP2B6KCNH2PDGFRB
SCHEMBL1309151 0.59 CYP2A6 (0.58) CYP2A6CYP2E1CYP2B6KCNH2PDGFRB
SCHEMBL276519 0.59

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-1250548-C Novel adenine derivatives SUMITOMO PHARMA (JP) 2006-04-12 CN 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 (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-20040132748-A1 Novel adenne derivatives IRF3, IFNAR1, STING1 CYP2A6 3427/4885CYP2E1 1924/4885CYP2B6 2595/4885
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 CYP2A6 432/4885CYP2E1 572/4885CYP2B6 205/4885

“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.