SCHEMBL19325285

SCHEMBL19325285

Cc1cnc(-c2cn(C)c3ncncc23)nc1C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 6/20 0.37
▸ TLR8 Q9NR97 6/20 0.37
▸ TLR7 Q9NYK1 6/20 0.37
▸ NTRK1 P04629 12/20 0.34
▸ CYP1A2 P05177 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ HBB P68871 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CYP17A1 P05093 1/20 0.32

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
SCHEMBL13041959 0.74 NTRK1 (0.37) TLR9TLR8TLR7NTRK1
SCHEMBL14983679 0.69 ROCK2 (0.35) —
SCHEMBL16091256 0.66 NTRK1 (0.36) TLR9TLR8TLR7NTRK1
SCHEMBL27975444 0.66 LRRK2 (0.42) TLR9TLR8TLR7NTRK1CYP1A2
SCHEMBL13616224 0.66 BRD4 (0.42) TLR9TLR8TLR7NTRK1
SCHEMBL19684530 0.66 NTRK1 (0.40) NTRK1CYP1A2USP2CYP3A4
SCHEMBL30968079 0.66 NTRK1 (0.36) TLR9TLR8TLR7NTRK1
SCHEMBL18629344 0.65 PDK1 (0.34) MEN1KMT2A
SCHEMBL11922157 0.64 NTRK1 (0.37) NTRK1
SCHEMBL28811015 0.63 NTRK1 (0.54) NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9932346-B2 Pyrrolopyrimidines for use in influenza virus infection JANSSEN SCIENCES IRELAND UC (IE) 2018-04-03 — — US disclosed
US-20170253600-A1 PYRROLOPYRIMIDINES FOR USE IN INFLUENZA VIRUS INFECTION JANSSEN INFECTIOUS DISEASES BVBA (BE) 2017-09-07 — — 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 (1 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-20170253600-A1 PYRROLOPYRIMIDINES FOR USE IN INFLUENZA VIRUS INFECTION IMPDH1, IMPDH2, TYMP TLR9 1540/4885TLR8 2028/4885TLR7 485/4885

“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.

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