SCHEMBL13485641

SCHEMBL13485641

Cc1cc(C#N)cc(C(C#N)c2c(C(C)C)c(=O)[nH]c(=O)n2Cc2cc(C)nc(N)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.32
HPGD P15428 2/20 0.32
ALDH1A1 P00352 2/20 0.32
XDH P47989 1/20 0.32
TLR7 Q9NYK1 1/20 0.31
MEN1 O00255 1/20 0.31
PSMD14 O00487 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
USP1 O94782 1/20 0.30
PKM P14618 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
SCHEMBL13485646 0.87 KDM4E (0.32) KDM4EHPGDALDH1A1USP1
SCHEMBL1484456 0.82 KDM4E (0.36) KDM4EHPGDALDH1A1
SCHEMBL10204393 0.80 KMT2A (0.32) KDM4EHPGDALDH1A1XDHTLR7
SCHEMBL12752299 0.74 ALDH1A1 (0.32) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL10204443 0.73 TSHR (0.33) KDM4EHPGDALDH1A1TLR7MEN1
SCHEMBL10204378 0.73 KDM4E (0.34) KDM4EHPGDALDH1A1XDHMEN1
SCHEMBL10204455 0.72 KCNH2 (0.32) KDM4EHPGDALDH1A1XDHTLR7
SCHEMBL10204288 0.72 TLR7 (0.33) KDM4EHPGDALDH1A1XDHTLR7
SCHEMBL501544 0.72 KDM4E (0.32) KDM4EHPGDALDH1A1XDH
SCHEMBL12752499 0.72 KDM4E (0.37) KDM4EHPGDALDH1A1XDHPKM

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-20100034827-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2010-02-11 US disclosed
US-20100034827-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2010-02-11 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 (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-20100034827-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS POLR2E, POLRMT, POLR2H KDM4E 1269/4885HPGD 2279/4885ALDH1A1 2535/4885

“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.