SCHEMBL16487178

SCHEMBL16487178

CCCCc1nc2cnccc2n1Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 6/20 0.60
AGTR1 P30556 6/20 0.59
AGTR2 P50052 6/20 0.59
PDE4A P27815 2/20 0.58
PDE4B Q07343 2/20 0.58
PDE4C Q08493 2/20 0.58
PDE4D Q08499 2/20 0.58
PDE3B Q13370 1/20 0.53
PDE3A Q14432 1/20 0.53

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
SCHEMBL9125020 0.86 AGTR1 (0.74) TLR7AGTR1AGTR2
SCHEMBL8081261 0.84 AGTR1 (0.48) TLR7AGTR1AGTR2
SCHEMBL9705296 0.84 AGTR1 (0.80) AGTR1AGTR2
SCHEMBL8560864 0.82 PPARG (0.70) AGTR1AGTR2
SCHEMBL9847780 0.81 PPARG (0.56) AGTR1AGTR2
SCHEMBL9705301 0.81 AGTR1 (0.60) AGTR1AGTR2
SCHEMBL29411886 0.81 AGTR1 (0.76) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL28487275 0.81 AGTR1 (0.76) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL4952279 0.80 AGTR1 (0.78) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL16512705 0.80 PDE4A (0.56) TLR7AGTR1AGTR2PDE4APDE4B

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-10471139-B2 Toll-like receptor agonists THE UNIVERSITY OF KANSAS (US) 2019-11-12 US disclosed
US-10471139-B2 Toll-like receptor agonists THE UNIVERSITY OF KANSAS (US) 2019-11-12 US disclosed
US-20160166681-A1 TOLL-LIKE RECEPTOR AGONISTS THE UNIVERSITY OF KANSAS 2016-06-16 US disclosed
US-20160166681-A1 TOLL-LIKE RECEPTOR AGONISTS THE UNIVERSITY OF KANSAS 2016-06-16 US disclosed
US-20160166681-A1 TOLL-LIKE RECEPTOR AGONISTS THE UNIVERSITY OF KANSAS 2016-06-16 US disclosed
WO-2015023958-A1 TOLL-LIKE RECEPTOR AGONISTS THE UNIVERSITY OF KANSAS (US) 2015-02-19 WO disclosed
WO-2015023958-A1 TOLL-LIKE RECEPTOR AGONISTS THE UNIVERSITY OF KANSAS (US) 2015-02-19 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-20160166681-A1 TOLL-LIKE RECEPTOR AGONISTS TLR1, TLR7, TLR8 TLR7 2/4885AGTR1 578/4885AGTR2 1178/4885
US-10471139-B2 Toll-like receptor agonists TLR1, TLR7, TLR8 TLR7 2/4885AGTR1 578/4885AGTR2 1178/4885

“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.