SCHEMBL24810231

SCHEMBL24810231

NCCn1ccnc1CI

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ ESR1 P03372 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ ADORA2B P29275 1/20 0.30

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
SCHEMBL2792249 0.80 TLR8 (0.46) TLR8ALDH1A1POLBKMT2ATSHR
SCHEMBL13287470 0.76 RAB9A (0.41) TLR8ALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL25043395 0.75 — —
SCHEMBL17219025 0.74 TLR8 (0.49) TLR8ALDH1A1POLBKMT2A
SCHEMBL13287496 0.73 TLR8 (0.37) TLR8ALDH1A1POLBKMT2ATSHR
SCHEMBL3648737 0.72 — —
SCHEMBL11930756 0.72 LMNA (0.39) TLR8ALDH1A1POLBKMT2ATSHR
SCHEMBL10363999 0.72 TLR8 (0.50) TLR8ALDH1A1POLBKMT2A
SCHEMBL6545771 0.72 TLR8 (0.50) TLR8ALDH1A1POLBKMT2A
SCHEMBL10363599 0.72 TLR8 (0.50) TLR8ALDH1A1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220411429-A1 CONDENSED PYRIDAZINE OR PYRIMIDINE AS BTK INHIBITORS BIOGEN MA INC. 2022-12-29 — — 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-20220411429-A1 CONDENSED PYRIDAZINE OR PYRIMIDINE AS BTK INHIBITORS BTK, CDK2, SYK TLR8 1805/4885ALDH1A1 2770/4885POLB 885/4885

“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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