SCHEMBL17066909

SCHEMBL17066909

CCn1nc(C(F)(F)F)nc1C

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.36
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31

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
SCHEMBL769175 0.79
SCHEMBL22143157 0.78 HTT (0.32)
SCHEMBL15484828 0.76 ALDH1A1 (0.43) CCR1ALDH1A1KMT2A
SCHEMBL9969947 0.76 ALDH1A1 (0.39) CCR1ALDH1A1KMT2A
SCHEMBL16519510 0.74 LMNA (0.42) CCR1ALDH1A1KMT2A
SCHEMBL25247969 0.72 NR1H3 (0.58) ALDH1A1
SCHEMBL24185801 0.72 NR1H3 (0.41) ALDH1A1
SCHEMBL6090782 0.72 PTGS2 (0.36)
SCHEMBL4781697 0.71 HTT (0.35) ALDH1A1KMT2A
SCHEMBL12402447 0.71 SLC2A1 (0.40) CCR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 US disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 US disclosed
EP-2729448-B1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES INC (US) 2015-09-09 EP 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-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN CCR1 52/4885ALDH1A1 649/4885KMT2A 2804/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN CCR1 52/4885ALDH1A1 649/4885KMT2A 2804/4885

“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.