SCHEMBL2844800

SCHEMBL2844800

Cc1nc(N)nc(Cl)c1Cc1ccc(CC#N)cc1F

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.48
TLR7 Q9NYK1 11/20 0.45
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSP90B1 P14625 3/20 0.35
TRAP1 Q12931 3/20 0.35
HSP90AA1 P07900 2/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35

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
SCHEMBL4209519 0.91 NPSR1 (0.48) NPSR1TLR7ALDH1A1POLBTSHR
SCHEMBL4198238 0.85 NPSR1 (0.52) NPSR1TLR7ALDH1A1POLBTSHR
SCHEMBL2850669 0.84 NPSR1 (0.51) NPSR1TLR7ALDH1A1POLBTSHR
SCHEMBL2853207 0.84 NPSR1 (0.55) NPSR1TLR7
SCHEMBL2846939 0.82 NPSR1 (0.64) NPSR1TLR7ALDH1A1KDM4EHPGD
SCHEMBL2869870 0.82 NPSR1 (0.55) NPSR1TLR7
SCHEMBL2850729 0.81 NPSR1 (0.52) NPSR1TLR7KDM4EHPGDSMN1; SMN2
SCHEMBL2853038 0.81 NPSR1 (0.47) NPSR1TLR7ALDH1A1POLBTSHR
SCHEMBL4209410 0.79 NPSR1 (0.44) NPSR1TLR7KMT2ASMN1; SMN2
SCHEMBL2847591 0.78 TLR7 (0.71) TLR7

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 10 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
CN-103342682-A Intermediate for preparing pyrimidine derivatives ASTRAZENECA AB 2013-10-09 CN disclosed
CN-101925584-B Pyrimidine Derivatives for the Treatment of Asthma, COPD, Allergic Rhinitis, Allergic Conjunctivitis, Atopic Dermatitis, Cancer, Hepatitis B, Hepatitis C, HIV, HPV, Bacterial Infections and Skin Diseases ASTRAZENECA AB 2013-04-17 CN 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
CN-101925584-A Pyrimidine Derivatives for the Treatment of Asthma, COPD, Allergic Rhinitis, Allergic Conjunctivitis, Atopic Dermatitis, Cancer, Hepatitis B, Hepatitis C, HIV, HPV, Bacterial Infections and Skin Diseases ASTRAZENECA AB 2010-12-22 CN 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 3271/4885ALDH1A1 241/4885
US-20130045955-A1 NOVEL COMPOUNDS ABCG2, F12, CFTR NPSR1 63/4885TLR7 2987/4885ALDH1A1 430/4885

“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.