SCHEMBL14935746

SCHEMBL14935746

Cc1nn(C)cc1-c1ccnc(N(C)Cc2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.50
AURKB Q96GD4 1/20 0.50
METAP2 P50579 1/20 0.42
METAP1 P53582 1/20 0.42
MAPT P10636 3/20 0.38
DYRK1A Q13627 3/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ALDH1A1 P00352 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CCNE1 P24864 1/20 0.36

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
SCHEMBL14947678 0.85 FGFR1 (0.40) AURKAAURKBDYRK1AKCNH2HRH3
SCHEMBL30299522 0.76 MAPT (0.50) AURKAMETAP2METAP1MAPTKMT2A
SCHEMBL16320548 0.72 ALDH1A1 (0.49) DYRK1AKCNH2HRH3ALDH1A1SMN1; SMN2
SCHEMBL19556261 0.70 ALDH1A1 (0.46) AURKAAURKBDYRK1AKCNH2HRH3
SCHEMBL12889093 0.68 ALDH1A1 (0.54) METAP2METAP1MAPTKMT2AKCNH2
SCHEMBL16340971 0.68 ALDH1A1 (0.44) ALDH1A1CCNE1CDK2IDH1
Ammonia Solution, Strong SCHEMBL8113500 0.67 ALDH1A1 (0.49) METAP1MAPTALDH1A1TSHRSMN1; SMN2
SCHEMBL5472425 0.66 MAPT (0.44) MAPTDYRK1AALDH1A1TDP1
SCHEMBL14947687 0.66 CCNE1 (0.47) DYRK1AALDH1A1CCNE1CDK2IDH1
SCHEMBL13218686 0.65 CCR1 (0.55) METAP2KMT2AMEN1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130123281-A1 Compositions and Methods for Inhibition of TBL-1 Binding to Disease-Associated Molecules BETA CAT PHARMACEUTICALS, LLC (US) 2013-05-16 US disclosed
US-20130123281-A1 Compositions and Methods for Inhibition of TBL-1 Binding to Disease-Associated Molecules BETA CAT PHARMACEUTICALS, LLC (US) 2013-05-16 US disclosed
US-20130123281-A1 Compositions and Methods for Inhibition of TBL-1 Binding to Disease-Associated Molecules BETA CAT PHARMACEUTICALS, LLC (US) 2013-05-16 US disclosed
WO-2013071232-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF TBL-1 BINDING TO DISEASE-ASSOCIATED MOLECULES BETA CAT PHARMACEUTICALS, LLC (US) 2013-05-16 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-20130123281-A1 Compositions and Methods for Inhibition of TBL-1 Binding to Disease-Associated Molecules TBL2, TBL3, TBL1XR1 AURKA 4069/4885AURKB 2716/4885METAP2 2653/4885

“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.