SCHEMBL13435161

SCHEMBL13435161

Cc1nc2ccccc2c2c1ncn2CC(C)C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 7/20 0.74
PDE4D Q08499 2/20 0.74
POLB P06746 2/20 0.74
NUDT1 P36639 2/20 0.74
LMNA P02545 1/20 0.74
HRH2 P25021 1/20 0.74
ADRA1D P25100 1/20 0.74
HTR2A P28223 1/20 0.74
ADORA2A P29274 1/20 0.74
ADRA1A P35348 1/20 0.74
HTR2B P41595 1/20 0.74
KCNH2 Q12809 1/20 0.74
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
Propionic Acid SCHEMBL9388385 0.92 TLR7 (0.63) TLR7PDE4DPOLBNUDT1LMNA
Butyric Acid SCHEMBL9388409 0.89 TLR7 (0.61) TLR7PDE4DPOLBNUDT1LMNA
SCHEMBL14667666 0.85 TLR7 (0.72) TLR7PDE4DPOLBNUDT1LMNA
SCHEMBL4830500 0.85 TLR7 (0.72) TLR7PDE4DPOLBNUDT1LMNA
SCHEMBL29378640 0.85 TLR7 (0.72) TLR7PDE4DPOLBNUDT1LMNA
Imiquimod SCHEMBL570774 0.85 TLR7 (1.00) TLR7PDE4DPOLBNUDT1LMNA
SCHEMBL1774937 0.85 TLR7 (0.72) TLR7PDE4DPOLBNUDT1LMNA
SCHEMBL4562038 0.85 TLR7 (0.72) TLR7PDE4DPOLBNUDT1LMNA
SCHEMBL1774913 0.85 TLR7 (0.72) TLR7PDE4DPOLBNUDT1LMNA
SCHEMBL29376434 0.85 TLR7 (0.72) TLR7PDE4DPOLBNUDT1LMNA

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
US-20220062273-A1 CONJUGATES OF PATTERN RECOGNITION RECEPTOR AGONISTS Ascendis Pharma Oncology Division A/S (DK) 2022-03-03 US disclosed
US-20220054477-A1 INDUCTION OF SUSTAINED LOCAL INFLAMMATION Ascendis Pharma Oncology Division A/S (DK) 2022-02-24 US disclosed
EP-3950687-A1 INDUSTRIAL METHOD FOR SYNTHESISING IMIQUIMOD FROM QUINOLINE-2,4-DIOL APPLICABLE TO THE PHARMACEUTICAL USE THEREOF PHV Pharma (FR) 2022-02-09 EP disclosed
WO-2021007160-A1 TRANS-CYCLOOCTENE BIOORTHOGONAL AGENTS AND USES IN CANCER AND IMMUNOTHERAPY TAMBO, INC. (US) 2021-01-14 WO disclosed
WO-2020141221-A1 CONJUGATES OF PATTERN RECOGNITION RECEPTOR AGONISTS ASCENDIS PHARMA A/S (DK) 2020-07-09 WO disclosed
US-20140220063-A1 VACCINE COMPOSITION NITTO DENKO CORPORATION (JP) 2014-08-07 US disclosed
US-20140220059-A1 WT1 PEPTIDE CANCER VACCINE COMPOSITION FOR MUCOSAL ADMINISTRATION INTERNATIONAL INSTITUTE OF CANCER IMMUNOLOGY, INC. (JP) 2014-08-07 US disclosed
US-20130028857-A1 SYNTHETIC NANOCARRIERS COMPRISING POLYMERS COMPRISING MULTIPLE IMMUNOMODULATORY AGENTS SELECTA BIOSCIENCES, INC. (US) 2013-01-31 US disclosed
US-7687628-B2 Method of preparing 4-amino-1H-imidazo(4,5-c)quinolines and acid addition salts thereof TARO PHARMACEUTICALS U.S.A., INC. (US) 2010-03-30 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 (5 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-20220054477-A1 INDUCTION OF SUSTAINED LOCAL INFLAMMATION GRPR, TLR3, TLR1 TLR7 9/4885PDE4D 1254/4885POLB 2760/4885
US-20220062273-A1 CONJUGATES OF PATTERN RECOGNITION RECEPTOR AGONISTS LPAR1, TACR1, ADGRF1 TLR7 57/4885PDE4D 1415/4885POLB 3885/4885
US-20130028857-A1 SYNTHETIC NANOCARRIERS COMPRISING POLYMERS COMPRISING MULTIPLE IMMUNOMODULATORY AGENTS CD47, IFNG, IL2 TLR7 84/4885PDE4D 2558/4885POLB 2849/4885
US-20140220059-A1 WT1 PEPTIDE CANCER VACCINE COMPOSITION FOR MUCOSAL ADMINISTRATION MUC1, TAP1, MICA TLR7 259/4885PDE4D 3464/4885POLB 2418/4885
US-20140220063-A1 VACCINE COMPOSITION MYD88, IRF3, CD14 TLR7 56/4885PDE4D 2885/4885POLB 1595/4885

“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.