SCHEMBL5545976

SCHEMBL5545976

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.41
CCR1 P32246 1/20 0.41
CCR5 P51681 1/20 0.41
CCR8 P51685 1/20 0.41
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
NOS2 P35228 2/20 0.38
KDM4E B2RXH2 2/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
PLAU P00749 1/20 0.36
HRH1 P35367 1/20 0.35
CXCR4 P61073 1/20 0.35
FDPS P14324 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
POLB P06746 2/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL17827971 0.81 UHRF1 (0.43) UHRF1CCR1CCR5CCR8KMT2A
SCHEMBL14670941 0.81 UHRF1 (0.46) UHRF1CCR1CCR5CCR8KMT2A
SCHEMBL20342497 0.81 UHRF1 (0.46) UHRF1CCR1CCR5CCR8KMT2A
SCHEMBL13991779 0.81 UHRF1 (0.46) UHRF1CCR1CCR5CCR8KMT2A
SCHEMBL643383 0.79 UHRF1 (0.48) UHRF1CCR1CCR5CCR8KMT2A
SCHEMBL26916427 0.79 UHRF1 (0.48) UHRF1CCR1CCR5CCR8KMT2A
SCHEMBL17828007 0.78 UHRF1 (0.43) UHRF1CCR1CCR5CCR8KMT2A
SCHEMBL18672385 0.76 UHRF1 (0.42) UHRF1CCR1CCR5CCR8KMT2A
SCHEMBL20116282 0.76 UHRF1 (0.45) UHRF1CCR1CCR5CCR8KMT2A
SCHEMBL29453940 0.74 UHRF1 (0.52) UHRF1CCR1CCR5CCR8KMT2A

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-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 UHRF1 2277/4885CCR1 205/4885CCR5 119/4885

“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.