SCHEMBL4214528

SCHEMBL4214528

COC(=O)c1ccc(Cc2c(C)nc(N)nc2O)c(OCc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
HPGD P15428 2/20 0.46
SMPD1 P17405 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
PPIA P62937 1/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DHFR P00374 1/20 0.41
MAP4K4 O95819 1/20 0.41
PLA2G2A P14555 3/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BRD4 O60885 1/20 0.40
LNPEP Q9UIQ6 2/20 0.40
TLR7 Q9NYK1 1/20 0.40

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
SCHEMBL4215916 0.90 PLA2G2A (0.45) LMNAHPGDSMPD1HDAC1HDAC8
SCHEMBL30037326 0.85 TLR7 (0.48) MAPTL3MBTL1TLR7
SCHEMBL853847 0.85 TLR7 (0.48) MAPTL3MBTL1TLR7
SCHEMBL16624314 0.81 TLR7 (0.41) HPGDRAB9AMAPTL3MBTL1DHFR
SCHEMBL6119059 0.81 FFAR1 (0.48) HPGDMAPTSMN1; SMN2TLR7
SCHEMBL6815544 0.81 LMNA (0.57) LMNAHPGDSMPD1HDAC1HDAC8
SCHEMBL30037453 0.79 TLR7 (0.50) MAPTTLR7
SCHEMBL20212312 0.79 TLR7 (0.50) MAPTTLR7
SCHEMBL30035518 0.79 TLR7 (0.50) MAPTTLR7
SCHEMBL4215783 0.79 TLR7 (0.47) HPGDMAPTDHFRPLA2G2ATLR7

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 5 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
US-20090209524-A1 Novel Compounds ASTRAZENECA AB (SE) 2009-08-20 US 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 LMNA 4207/4885HPGD 3366/4885SMPD1 704/4885
US-20130045955-A1 NOVEL COMPOUNDS ABCG2, F12, CFTR LMNA 4002/4885HPGD 3511/4885SMPD1 1192/4885

“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.