SCHEMBL21150134

SCHEMBL21150134

CSc1nccc(CC(C)c2nccn2C)c1F

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 1/20 0.32
CYP2D6 P10635 1/20 0.31
MAPT P10636 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
SCHEMBL26985308 0.71 NPC1 (0.34) L3MBTL1
SCHEMBL30746647 0.68 TSHR (0.37) KDM4EL3MBTL1KMT2AMAPT
SCHEMBL26985174 0.68 TSHR (0.37) KDM4EL3MBTL1KMT2AMAPT
SCHEMBL11445528 0.66 KDM4E (0.42) KDM4EL3MBTL1KMT2ACYP2D6MAPT
SCHEMBL13663805 0.65 L3MBTL1 (0.45) KDM4EL3MBTL1KMT2ACYP2D6MAPT
SCHEMBL8241575 0.65 L3MBTL1 (0.45) KDM4EL3MBTL1KMT2ACYP2D6MAPT
SCHEMBL24128156 0.65 KDM4E (0.37) KDM4EL3MBTL1CYP2D6MAPT
SCHEMBL11446277 0.64 KDM4E (0.40) KDM4EL3MBTL1KMT2ACYP2D6MAPT
SCHEMBL26017934 0.63 L3MBTL1 (0.43) KDM4EL3MBTL1KMT2ACYP2D6MAPT
SCHEMBL950779 0.62 KDM4E (0.44) KDM4EL3MBTL1KMT2ACYP2D6MAPT

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 KDM4E 546/4885L3MBTL1 2931/4885KMT2A 1556/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN KDM4E 940/4885L3MBTL1 3858/4885KMT2A 1129/4885

“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.