SCHEMBL16489585

SCHEMBL16489585

CC(C)Oc1ccc(N)c(N[C@@H](C)c2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
HTT P42858 1/20 0.45
GALR3 O60755 1/20 0.43
NR2F2 P24468 1/20 0.43
CCNE2 O96020 3/20 0.43
CCNE1 P24864 3/20 0.43
CDK2 P24941 3/20 0.43
CDK4 P11802 2/20 0.43
CCND1 P24385 2/20 0.43
NUDT1 P36639 1/20 0.43
EGFR P00533 2/20 0.42
SOS1 Q07889 3/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GBA1 P04062 1/20 0.40
LDHA P00338 1/20 0.40

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
SCHEMBL16489586 0.81 KRAS (0.43) MAPTKMT2AMEN1HTTGALR3
SCHEMBL16489588 0.81 TLR7 (0.43) EGFR
SCHEMBL16489587 0.81 TLR7 (0.43) EGFR
SCHEMBL7823093 0.77 ALDH1A1 (0.34) KMT2AMEN1NUDT1ALDH1A1
SCHEMBL12067330 0.70 LDHB (0.46) MAPTKMT2AMEN1HTTGALR3
SCHEMBL18149070 0.68 PFKFB3 (0.48) MAPTKMT2AMEN1HTTLDHA
SCHEMBL18328638 0.68 LMNA (0.51) MAPTKMT2AMEN1HTTGAA
SCHEMBL18320056 0.68 LMNA (0.51) MAPTKMT2AMEN1HTTGAA
SCHEMBL25009795 0.68 CCNA2 (0.37) MAPTKMT2AMEN1CDK2ALDH1A1
SCHEMBL17372584 0.68 ALDH1A1 (0.37) MAPTKMT2AMEN1CDK2ALDH1A1

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
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
WO-2015022332-A1 PYRIDINONES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-19 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 (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 MAPT 4084/4885KMT2A 3495/4885MEN1 781/4885
US-20150246919-A1 PYRIDINONES MKI67, XDH, CDK6 MAPT 4084/4885KMT2A 3495/4885MEN1 781/4885

“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.