SCHEMBL2853207

SCHEMBL2853207

COc1cc(CC#N)ccc1Cc1c(C)nc(N)nc1Cl

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.55
TLR7 Q9NYK1 17/20 0.48
TLR8 Q9NR97 3/20 0.47

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
SCHEMBL2869870 0.91 NPSR1 (0.55) NPSR1TLR7
SCHEMBL18054732 0.87 TLR7 (0.49) TLR7TLR8
SCHEMBL4197996 0.86 NPSR1 (0.60) NPSR1TLR7TLR8
SCHEMBL4209410 0.86 NPSR1 (0.44) NPSR1TLR7
SCHEMBL2849074 0.85 NPSR1 (0.58) NPSR1TLR7TLR8
SCHEMBL6120485 0.84 NPSR1 (0.51) NPSR1TLR7TLR8
SCHEMBL2844800 0.84 NPSR1 (0.48) NPSR1TLR7
SCHEMBL4209519 0.82 NPSR1 (0.48) NPSR1TLR7
SCHEMBL2853379 0.81 NPSR1 (0.54) NPSR1TLR7TLR8
SCHEMBL2846939 0.81 NPSR1 (0.64) NPSR1TLR7TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765939-B2 Pyrimidline derivatives having immune modulating properties that act via TLR7 for the treatment of viral or allergic diseases and cancers ASTRAZENECA AB (SE) 2014-07-01 US disclosed
US-20130045955-A1 NOVEL COMPOUNDS BENNETT NICHOLAS J (GB) 2013-02-21 US disclosed
EP-2222648-B1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ASTHMA, COPD, ALLERGIC RHINITIS, ALLERGIC CONJUNCTIVITIS, ATOPIC DERMATITIS, CANCER, HEPATITIS B, HEPATITIS C, HIV, HPV, BACTERIAL INFECTIONS AND DERMATOSIS ASTRAZENECA AB (SE) 2013-01-09 EP disclosed
US-8268990-B2 Compounds ASTRAZENECA AB (SE) 2012-09-18 US disclosed
EP-2222648-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ASTHMA, COPD, ALLERGIC RHINITIS, ALLERGIC CONJUNCTIVITIS, ATOPIC DERMATITIS, CANCER, HEPATITIS B, HEPATITIS C, HIV, HPV, BACTERIAL INFECTIONS AND DERMATOSIS AstraZeneca AB (SE) 2010-09-01 EP disclosed
US-20090209524-A1 Novel Compounds ASTRAZENECA AB (SE) 2009-08-20 US disclosed
WO-2009067081-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ASTHMA, COPD, ALLERGIC RHINITIS, ALLERGIC CONJUNCTIVITIS, ATOPIC DERMATITIS, CANCER, HEPATITIS B, HEPATITIS C, HIV, HPV, BACTERIAL INFECTIONS AND DERMATOSIS ASTRAZENECA AB (SE) 2009-05-28 WO 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-20090209524-A1 Novel Compounds ABCG2, CYP4B1, CYP3A4 NPSR1 78/4885TLR7 3271/4885TLR8 4435/4885
US-20130045955-A1 NOVEL COMPOUNDS ABCG2, F12, CFTR NPSR1 63/4885TLR7 2987/4885TLR8 4332/4885

“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.