SCHEMBL6499166

SCHEMBL6499166

C1=CN(c2ccccn2)CN1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLD1 Q13393 1/20 0.44
CRBN Q96SW2 1/20 0.42
MAPK1 P28482 2/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 3/20 0.39
HPGD P15428 2/20 0.39
CYP1A2 P05177 2/20 0.39
ALOX5 P09917 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL6501160 0.76 ALDH1A1 (0.41) ALDH1A1HSD17B10HPGDCYP1A2CYP3A4
SCHEMBL18010762 0.75 PLD1 (0.50) PLD1CRBNMAPK1GAAALDH1A1
SCHEMBL6497291 0.74 KDM4E (0.35) KDM4E
SCHEMBL1140766 0.74 PLD1 (0.47) PLD1CRBNMAPK1ALDH1A1HSD17B10
SCHEMBL30477095 0.74 CRBN (0.46) PLD1CRBNMAPK1GAAALDH1A1
SCHEMBL28004054 0.74 PLD1 (0.38) PLD1CRBNMAPK1GAAALDH1A1
Hydrochloric Acid SCHEMBL3827230 0.72 PLD1 (0.46) PLD1CRBNMAPK1ALDH1A1HSD17B10
Bromide SCHEMBL6883560 0.71 PLD1 (0.44) PLD1CRBNMAPK1ALDH1A1HSD17B10
SCHEMBL5224464 0.71 PLD1 (0.49) PLD1MAPK1ALDH1A1HSD17B10HPGD
SCHEMBL27508033 0.68 PLD1 (0.46) PLD1CRBNMAPK1GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120226041-A1 CATALYSTS AND BORONATE ESTERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-09-06 US claimed
US-20120226041-A1 CATALYSTS AND BORONATE ESTERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-09-06 US disclosed
US-20050256167-A1 Preparation and use of imidazole derivatives for treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2005-11-17 US disclosed
CN-1351646-A Composition and method for bleaching a substrate UNILEVER PLC (NL) 2002-05-29 CN disclosed
US-6100404-A Erythromycin compounds HOECHST MARION ROUSSEL (FR) 2000-08-08 US disclosed
EP-0680967-B1 Erythromycin derivatives, their process of preparation and their use as medicaments HOECHST MARION ROUSSEL INC (FR) 1998-10-14 EP disclosed
US-5635485-A Erythromycin compounds ROUSSEL UCLAF (FR) 1997-06-03 US disclosed
WO-1995029929-A1 NOVEL ERYTHROMYCIN DERIVATIVES, METHOD FOR THEIR PREPARATION AND THEIR USE AS DRUGS ROUSSEL UCLAF (FR) 1995-11-09 WO disclosed
EP-0680967-A1 Erythromycin derivatives, their process of preparation and their use as medicaments ROUSSEL-UCLAF (FR) 1995-11-08 EP 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-20120226041-A1 CATALYSTS AND BORONATE ESTERS BCHE, BRI3BP, BRAP PLD1 2421/4885CRBN 940/4885MAPK1 3045/4885
US-20050256167-A1 Preparation and use of imidazole derivatives for treatment of obesity GPR119, GIPR, PGC PLD1 3341/4885CRBN 2249/4885MAPK1 1351/4885

“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.