SCHEMBL16489587

SCHEMBL16489587

CC(C)Oc1ccc(N)c(NC(C)c2ccccn2)n1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.43
EGFR P00533 2/20 0.40
BRD4 O60885 3/20 0.37
ADORA2B P29275 8/20 0.36
ADORA2A P29274 7/20 0.36
ADORA3 P0DMS8 3/20 0.36
GRM5 P41594 1/20 0.34
P2RX3 P56373 1/20 0.34
IDH1 O75874 1/20 0.33
F7 P08709 1/20 0.33

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
SCHEMBL16489588 1.00 TLR7 (0.43) TLR7EGFRBRD4ADORA2BADORA2A
SCHEMBL16489585 0.81 MAPT (0.45) EGFR
SCHEMBL16489589 0.81 BRD4 (0.42) TLR7EGFRBRD4ADORA2BADORA2A
SCHEMBL16489583 0.78 BRD4 (0.46) TLR7BRD4ADORA2BADORA2AADORA3
SCHEMBL31364962 0.74 TLR7 (0.44) TLR7EGFRADORA2BADORA2AADORA3
SCHEMBL7823093 0.73 ALDH1A1 (0.34) GRM5
SCHEMBL4694197 0.72 JAK2 (0.38) TLR7EGFRADORA2BGRM5
SCHEMBL19493211 0.71 APP (0.65) TLR7EGFR
SCHEMBL17147313 0.71 APP (0.65) TLR7EGFR
SCHEMBL18319717 0.70 TLR7 (0.36) TLR7EGFRADORA2BADORA2AGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296748-B2 Pyridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-29 US disclosed
US-9296748-B2 Pyridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-29 US disclosed
US-20150246919-A1 PYRIDINONES BOEHRINGER INGELHEIM INT (DE) 2015-09-03 US disclosed
US-20150246919-A1 PYRIDINONES BOEHRINGER INGELHEIM INT (DE) 2015-09-03 US disclosed
WO-2015022332-A1 PYRIDINONES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-19 WO disclosed
US-20150051208-A1 PYRIDINONES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-19 US disclosed
US-20150051208-A1 PYRIDINONES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-19 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-20150051208-A1 PYRIDINONES MKI67, XDH, CDK6 TLR7 1334/4885EGFR 1381/4885BRD4 1346/4885
US-20150246919-A1 PYRIDINONES MKI67, XDH, CDK6 TLR7 1334/4885EGFR 1381/4885BRD4 1346/4885

“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.