SCHEMBL12190880

SCHEMBL12190880

COc1cc(-c2cncc(C(=O)Nc3ccccc3C)c2)cc(OC)c1OC

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.55
TAS1R1 Q7RTX1 1/20 0.55
TAS1R2 Q8TE23 1/20 0.55
CCNC P24863 1/20 0.54
CDK8 P49336 1/20 0.54
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 2/20 0.51
ABCB1 P08183 3/20 0.49
ABCC1 P33527 2/20 0.49
MAPT P10636 3/20 0.49
LMNA P02545 1/20 0.48
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
SMO Q99835 1/20 0.47
HPGD P15428 2/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL12190869 0.87 CCNC (0.55) TAS1R3TAS1R1TAS1R2CCNCCDK8
SCHEMBL12190950 0.86 TAS1R3 (0.56) TAS1R3TAS1R1TAS1R2CCNCCDK8
SCHEMBL12190923 0.82 CCNC (0.59) TAS1R3TAS1R1TAS1R2CCNCCDK8
SCHEMBL12190878 0.82 SMN1; SMN2 (0.63) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL12191131 0.82 MEN1 (0.66) TAS1R3TAS1R1TAS1R2CCNCCDK8
SCHEMBL12191051 0.80 CCNC (0.59) CCNCCDK8MEN1KMT2AALDH1A1
SCHEMBL12190908 0.80 CCNC (0.65) CCNCCDK8MEN1KMT2AALDH1A1
SCHEMBL28793944 0.80 MAPT (0.64) MEN1KMT2AMAPTLMNA
SCHEMBL12191085 0.79 SCN10A (0.66) CCNCCDK8MEN1KMT2AALDH1A1
SCHEMBL12121720 0.77 CTSA (0.48) CCNCCDK8MEN1KMT2AALDH1A1

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
EP-1569907-B1 NICOTINAMIDE-BASED KINASE INHIBITORS YM BIOSCIENCES AUSTRALIA PTY (AU) 2016-03-09 EP disclosed
US-8030336-B2 Nicotinamide-based kinase inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2011-10-04 US disclosed
US-8030336-B2 Nicotinamide-based kinase inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2011-10-04 US disclosed
US-20070060619-A1 Nicotinamide-based kinase inhibitors CYTOPIA PTY LTD (AU) 2007-03-15 US disclosed
US-20070060619-A1 Nicotinamide-based kinase inhibitors CYTOPIA PTY LTD (AU) 2007-03-15 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 (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-20070060619-A1 Nicotinamide-based kinase inhibitors NADK, NAMPT, PDXK TAS1R3 2479/4885TAS1R1 1698/4885TAS1R2 2196/4885

“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.