SCHEMBL4459971

SCHEMBL4459971

COc1[c]c2ccscc-2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.38
PDGFRB P09619 5/20 0.36
PDGFRA P16234 4/20 0.36
NPC1 O15118 2/20 0.36
ERN1 O75460 1/20 0.35
TUBB4A P04350 5/20 0.33
TUBB P07437 5/20 0.33
TUBA3C P0DPH7 5/20 0.33
TUBA1B P68363 5/20 0.33
TUBA4A P68366 5/20 0.33
TUBB4B P68371 5/20 0.33
TUBB3 Q13509 5/20 0.33
TUBB2A Q13885 5/20 0.33
TUBB8 Q3ZCM7 5/20 0.33
TUBA3E Q6PEY2 5/20 0.33
TUBA1A Q71U36 5/20 0.33
TUBA1C Q9BQE3 5/20 0.33
TUBB6 Q9BUF5 5/20 0.33
TUBB2B Q9BVA1 5/20 0.33
TUBB1 Q9H4B7 5/20 0.33

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
SCHEMBL4465487 0.75 CYP2A6 (0.39) CYP2A6PDGFRBPDGFRAPRMT6CYP2E1
SCHEMBL4463698 0.71 CYP2A6 (0.36) CYP2A6PDGFRBPDGFRAERN1PRMT6
SCHEMBL5991209 0.68 CYP2A6 (0.46) CYP2A6PDGFRBPDGFRANPC1ERN1
SCHEMBL4853131 0.67 ABL1 (0.36) CYP2A6NPC1CYP2E1CYP2B6
SCHEMBL4473652 0.67 CYP1A1 (0.35) PDGFRBERN1TUBB4ATUBBTUBA3C
SCHEMBL29234155 0.65 ERN1 (0.58) CYP2A6PDGFRBPDGFRANPC1ERN1
SCHEMBL1069430 0.63 ALDH1A1 (0.43) CYP2A6PDGFRBPDGFRANPC1CYP2E1
SCHEMBL336435 0.63 PDE4B (0.38) CYP2A6NPC1CYP2E1CYP2B6
SCHEMBL26414634 0.62 ERN1 (0.50) CYP2A6PDGFRBPDGFRAERN1TUBB4A
SCHEMBL5992568 0.62 GAK (0.48) CYP2A6PDGFRBPDGFRANPC1ERN1

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 6 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
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.