SCHEMBL682871

SCHEMBL682871

COc1ccccc1NC(=O)c1ccc(N)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.68
MLYCD O95822 1/20 0.68
PABPC1 P11940 1/20 0.65
APOBEC3A P31941 1/20 0.65
EIF4H Q15056 1/20 0.65
APOBEC3G Q9HC16 1/20 0.65
HDAC1 Q13547 2/20 0.64
KMT2A Q03164 3/20 0.63
MEN1 O00255 2/20 0.63
AHR P35869 1/20 0.63
HPGD P15428 1/20 0.61
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
HDAC3 O15379 1/20 0.60
HDAC4 P56524 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC8 Q9BY41 1/20 0.60

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
SCHEMBL29989592 0.87 RAB9A (0.77) MLYCDPABPC1APOBEC3AEIF4HAPOBEC3G
SCHEMBL527994 0.87 RAB9A (0.77) MLYCDPABPC1APOBEC3AEIF4HAPOBEC3G
SCHEMBL9620767 0.86 MLYCD (0.69) GAAMLYCDPABPC1APOBEC3AEIF4H
SCHEMBL16583906 0.86 RAB9A (0.70) MLYCDPABPC1APOBEC3AEIF4HAPOBEC3G
SCHEMBL8970971 0.86 POLB (0.70) MLYCDPABPC1APOBEC3AEIF4HAPOBEC3G
SCHEMBL9620772 0.86 F10 (0.81) GAAMLYCDPABPC1APOBEC3AEIF4H
SCHEMBL96146 0.84 MLYCD (0.68) GAAMLYCDPABPC1APOBEC3AEIF4H
SCHEMBL10605968 0.84 GAA (0.66) GAAHDAC1KMT2AMEN1HDAC8
SCHEMBL345880 0.84 MAPT (0.63) GAAKMT2AMEN1AHRHPGD
SCHEMBL31467959 0.84 GAA (0.80) GAAHDAC1KMT2AMEN1AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9023340-B2 Wnt inhibitors for human stem cell differentiation CHEMREGEN, INC. (US) 2015-05-05 US disclosed
US-20130177535-A1 WNT INHIBITORS FOR HUMAN STEM CELL DIFFERENTIATION CHEMREGEN, INC 2013-07-11 US disclosed
US-20110269758-A1 NAPHTHYRIDINONES AS PROTEIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-11-03 US disclosed
US-20110269758-A1 NAPHTHYRIDINONES AS PROTEIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-11-03 US disclosed
WO-2010002779-A2 NAPHTHYRIDININONES AS AURORA KINASE INHIBITORS MERCK SERONO S.A. (CH) 2010-01-07 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-20110269758-A1 NAPHTHYRIDINONES AS PROTEIN KINASE INHIBITORS AURKA, AURKC, AURKB GAA 1900/4885MLYCD 3147/4885PABPC1 1723/4885
US-20130177535-A1 WNT INHIBITORS FOR HUMAN STEM CELL DIFFERENTIATION WNT3A, WNT1, WNT3 GAA 2462/4885MLYCD 4001/4885PABPC1 3691/4885

“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.