SCHEMBL5545972

SCHEMBL5545972

Cc1ccnc(C#CC(C)(C)O)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 9/20 0.43
UHRF1 Q96T88 1/20 0.41
CCR1 P32246 1/20 0.41
CCR5 P51681 1/20 0.41
CCR8 P51685 1/20 0.41
CHUK O15111 5/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
KMT2A Q03164 1/20 0.38
PLAU P00749 1/20 0.36
MAP3K14 Q99558 1/20 0.36
PIKFYVE Q9Y2I7 3/20 0.35
PAK4 O96013 1/20 0.35

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
SCHEMBL31536274 0.81 TTBK1 (0.48) TTBK1CHUKMAP3K14PIKFYVEPAK4
SCHEMBL24816245 0.78 NOS3 (0.43) TTBK1CHUKNOS3NOS1NOS2
SCHEMBL24806305 0.78 TTBK1 (0.41) TTBK1CHUKMAP3K14PIKFYVEPAK4
SCHEMBL23021937 0.78 RECQL (0.43) TTBK1CHUKMAP3K14
SCHEMBL22387458 0.76 TTBK1 (0.41) TTBK1CCR1CCR5CCR8CHUK
SCHEMBL30390040 0.75 UHRF1 (0.41) UHRF1CCR1CCR5CCR8KDM4E
SCHEMBL1201922 0.74 GRM5 (0.49)
SCHEMBL16289228 0.73 UHRF1 (0.46) UHRF1CCR1CCR5CCR8KDM4E
SCHEMBL2716821 0.72 CCR1 (0.45) UHRF1CCR1CCR5CCR8KDM4E
SCHEMBL739784 0.70 GRM5 (0.45) TTBK1CHUKKDM4EMAP3K14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022271659-A1 DIACYLGLYERCOL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2022-12-29 WO disclosed
US-7176314-B2 IkB kinases (IKK) enzyme inhibitors, a imidazole-5-yl-quinoline derivatives compounds AMGEN, INC. (US) 2007-02-13 US disclosed
US-20030181472-A1 Inflammation modulators TULARIK INC. 2003-09-25 US disclosed
WO-2003048152-A2 INFLAMMATION MODULATORS TULARIK INC. (US) 2003-06-12 WO 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-20030181472-A1 Inflammation modulators NFATC1, NFKBIA, RELA TTBK1 1645/4885UHRF1 2277/4885CCR1 205/4885

“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.