SCHEMBL4465487

SCHEMBL4465487

Cc1[c]c2ccscc-2c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.39
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
CYP2E1 P05181 1/20 0.35
CYP2B6 P20813 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
KCNH2 Q12809 1/20 0.34
ALOX5 P09917 1/20 0.34
DRD2 P14416 1/20 0.31
HTR6 P50406 1/20 0.31
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
BRD4 O60885 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL696796 0.81 CYP2A6 (0.48) CYP2A6PDGFRBPDGFRACYP2E1CYP2B6
SCHEMBL4463698 0.75 CYP2A6 (0.36) CYP2A6PDGFRBPDGFRACYP2E1CYP2B6
SCHEMBL4478025 0.75 CYP2A6 (0.36) CYP2A6PDGFRBPDGFRACYP2E1CYP2B6
SCHEMBL4459971 0.75 CYP2A6 (0.38) CYP2A6PDGFRBPDGFRACYP2E1CYP2B6
SCHEMBL723358 0.67 ALDH1A1 (0.36) CYP2A6CYP2B6ALDH1A1MAPTKDM4E
SCHEMBL14451036 0.65 PDGFRB (0.53) CYP2A6PDGFRBPDGFRACYP2E1CYP2B6
SCHEMBL7615765 0.64 CYP2A6 (0.41) CYP2A6PDGFRBPDGFRACYP2E1CYP2B6
SCHEMBL14506751 0.64 KCNH2 (0.53) CYP2A6PDGFRBPDGFRACYP2E1CYP2B6
SCHEMBL14635117 0.64 ALDH1A1 (0.39) ALDH1A1MAPTBRD4KDM4E
SCHEMBL4460984 0.62 CYP2A6 (0.32) CYP2A6CYP2E1CYP2B6ALOX5TDO2

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 3427/4885PDGFRB 4295/4885PDGFRA 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 CYP2A6 432/4885PDGFRB 2678/4885PDGFRA 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.