SCHEMBL21149414

SCHEMBL21149414

CCCCc1cnc(C#N)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.46
L3MBTL1 Q9Y468 5/20 0.43
NFKB1 P19838 4/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
TSHR P16473 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43
THPO P40225 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43
RAB9A P51151 7/20 0.41

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
SCHEMBL11751866 0.84 TSHR (0.55) NAAAL3MBTL1NFKB1ALDH1A1MAPT
SCHEMBL10600944 0.84 RARB (0.51) NAAAL3MBTL1NFKB1ALDH1A1MAPT
SCHEMBL20143957 0.80 CYP2A6 (0.43) NAAAL3MBTL1ALDH1A1MAPTTSHR
SCHEMBL11751934 0.79 HSD17B10 (0.62) NAAAL3MBTL1ALDH1A1MAPTTSHR
SCHEMBL11753396 0.78 HSD17B10 (0.65) NAAAL3MBTL1ALDH1A1MAPTTSHR
SCHEMBL11751905 0.78 HSD17B10 (0.65) NAAAL3MBTL1ALDH1A1MAPTTSHR
SCHEMBL10465159 0.77 L3MBTL1 (0.50) L3MBTL1NFKB1ALDH1A1MAPTTSHR
SCHEMBL1934209 0.76 RARB (0.43) L3MBTL1NFKB1ALDH1A1MAPTTSHR
SCHEMBL25672409 0.76 NAAA (0.55) NAAAL3MBTL1ALDH1A1MAPTTSHR
SCHEMBL9000305 0.76 HSD17B10 (0.58) L3MBTL1NFKB1ALDH1A1MAPTTSHR

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-10774053-B2 HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2020-09-15 US disclosed
US-20190210978-A1 HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2019-07-11 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 (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-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN NAAA 356/4885L3MBTL1 2931/4885NFKB1 638/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN NAAA 303/4885L3MBTL1 3858/4885NFKB1 633/4885

“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.