SCHEMBL17784257

SCHEMBL17784257

Cc1nc(Cl)nc(S)c1F

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 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
SCHEMBL1586151 0.82 ALDH1A1 (0.41) ALDH1A1ALOX15TSHR
SCHEMBL30166648 0.75 ALDH1A1 (0.35) ALDH1A1ALOX15TSHR
SCHEMBL12599932 0.75 ALDH1A1 (0.35) ALDH1A1ALOX15TSHR
SCHEMBL18913381 0.71 CDK1 (0.33) ALDH1A1ALOX15TSHR
SCHEMBL10827853 0.71 ALDH1A1 (0.41) ALDH1A1ALOX15TSHR
SCHEMBL12599922 0.68 CYP1A2 (0.41) ALDH1A1
SCHEMBL12599748 0.68 LMNA (0.31)
SCHEMBL20302639 0.68 YTHDC1 (0.43)
SCHEMBL28797302 0.67
SCHEMBL29344559 0.66 ALDH1A1 (0.41) ALDH1A1ALOX15TSHR

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-9518056-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-12-13 US disclosed
US-20160152614-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2016-06-02 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-20160152614-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, IRF3, ACE2 ALDH1A1 2831/4885ALOX15 2809/4885TSHR 2310/4885

“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.