SCHEMBL2849398

SCHEMBL2849398

CCCCCNc1cc(C)nc(N)n1

nearest known ligand 0.90

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 6/20 0.90
DNM2 P50570 7/20 0.56
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TLR7 Q9NYK1 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
GAA P10253 1/20 0.44
ATM Q13315 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL5791298 0.98 TLR8 (0.88) TLR8DNM2ALDH1A1LMNATP53
SCHEMBL20434306 0.95 TLR8 (1.00) TLR8DNM2ALDH1A1LMNATP53
SCHEMBL8585646 0.88 TLR8 (0.81) TLR8DNM2ALDH1A1LMNATP53
SCHEMBL26345520 0.86 TLR8 (0.78) TLR8ALDH1A1LMNATP53TSHR
SCHEMBL29442374 0.86 TLR8 (0.78) TLR8ALDH1A1LMNATP53TSHR
SCHEMBL30263108 0.83 TLR8 (0.64) TLR8DNM2TLR7CYP2D6HRH4
SCHEMBL29156884 0.83 TLR8 (0.64) TLR8DNM2TLR7CYP2D6HRH4
SCHEMBL11752857 0.82 CYP2D6 (0.64) TLR8DNM2ALDH1A1SMN1; SMN2KMT2A
SCHEMBL5792943 0.81 TLR8 (0.66) TLR8DNM2ALDH1A1MEN1KMT2A
SCHEMBL13309860 0.81 TLR8 (0.61) TLR8DNM2ALDH1A1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4043460-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF Merck Patent GmbH (DE) 2022-08-17 EP disclosed
CN-113966326-A Water soluble adjuvants 大日本住友制药株式会社 2022-01-21 CN disclosed
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 TLR8 4435/4885DNM2 4549/4885ALDH1A1 241/4885
US-20130045955-A1 NOVEL COMPOUNDS ABCG2, F12, CFTR TLR8 4332/4885DNM2 4586/4885ALDH1A1 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.