SCHEMBL5146799

SCHEMBL5146799

CC(=O)N1CCCN(c2nn3ccccc3c2N)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.42
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
CASP6 P55212 1/20 0.41
GFER P55789 1/20 0.41
NCF1 P14598 2/20 0.40
PDE10A Q9Y233 2/20 0.40
PIK3CD O00329 1/20 0.39
HTR6 P50406 2/20 0.37
GRIA1 P42261 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GBA1 P04062 1/20 0.36
PTPN11 Q06124 1/20 0.36
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
ABCB1 P08183 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
SCHEMBL1840872 0.82 MAPT (0.44) PIK3CAGFERKDM4EALDH1A1
SCHEMBL5145383 0.81 HTR3E (0.46) NCF1
Hydrochloric Acid SCHEMBL1841684 0.80 MAPT (0.42) PIK3CAGFERKDM4EALDH1A1
SCHEMBL13016586 0.80 HPGD (0.44) PIK3CAGFERKDM4EALDH1A1
Hydrochloric Acid SCHEMBL1840946 0.80 MAPT (0.42) PIK3CAGFERKDM4EALDH1A1
SCHEMBL5145241 0.78 HTR3B (0.47)
Hydrochloric Acid SCHEMBL1841829 0.77 HTR3B (0.46)
SCHEMBL3852468 0.74 CYP3A4 (0.39) PIK3CA
SCHEMBL5143155 0.74 CHRNB2 (0.40) NCF1HTR6KDM4E
SCHEMBL1231205 0.73 CYP3A4 (0.42) PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1792606-A1 Composition for dyeing keratinic fibers comprising at least one derivative of 3-amino pyrazolopyridine L'Oréal (FR) 2007-06-06 EP claimed
WO-2012084472-A1 PROCESS FOR DYEING KERATIN FIBRES USING HYDROXYBENZALDEHYDE DERIVATIVES, OXIDIZING AGENTS AND ALKALINIZING AGENTS IN THE PRESENCE OF HEAT L'OREAL (FR) 2012-06-28 WO disclosed
EP-1792606-B1 Composition for dyeing keratinic fibers comprising at least one derivative of 3-amino pyrazolopyridine OREAL (FR) 2011-05-18 EP disclosed
US-7857864-B2 Composition for the dyeing of keratin fibers comprising at least one 3-amino-pyrazolopyridine derivative L'OREAL S.A. (FR) 2010-12-28 US disclosed
US-7857864-B2 Composition for the dyeing of keratin fibers comprising at least one 3-amino-pyrazolopyridine derivative L'OREAL S.A. (FR) 2010-12-28 US disclosed
US-20100115711-A1 COMPOSITION FOR THE DYEING OF KERATIN FIBERS COMPRISING AT LEAST ONE 3-AMINO-PYRAZOLOPYRIDINE DERIVATIVE L'OREAL S.A. (FR) 2010-05-13 US disclosed
US-20100115711-A1 COMPOSITION FOR THE DYEING OF KERATIN FIBERS COMPRISING AT LEAST ONE 3-AMINO-PYRAZOLOPYRIDINE DERIVATIVE L'OREAL S.A. (FR) 2010-05-13 US disclosed
US-7635394-B2 Composition for the dyeing of keratin fibers comprising at least one 3-amino-pyrazolopyridine derivatives L'OREAL S.A. (FR) 2009-12-22 US disclosed
US-7635394-B2 Composition for the dyeing of keratin fibers comprising at least one 3-amino-pyrazolopyridine derivatives L'OREAL S.A. (FR) 2009-12-22 US disclosed
US-20070143935-A1 Composition for the dyeing of keratin fibers comprising at least one 3-amino-pyrazolopyridine derivatives L'OREAL S.A. (FR) 2007-06-28 US disclosed
US-20070143935-A1 Composition for the dyeing of keratin fibers comprising at least one 3-amino-pyrazolopyridine derivatives L'OREAL S.A. (FR) 2007-06-28 US disclosed
EP-1792606-A1 Composition for dyeing keratinic fibers comprising at least one derivative of 3-amino pyrazolopyridine L'Oréal (FR) 2007-06-06 EP disclosed
EP-1792606-A1 Composition for dyeing keratinic fibers comprising at least one derivative of 3-amino pyrazolopyridine L'Oréal (FR) 2007-06-06 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-20070143935-A1 Composition for the dyeing of keratin fibers comprising at least one 3-amino-pyrazolopyridine derivatives KRT18, MARK1, MARK2 SMO 1198/4885PIK3CA 1840/4885MTOR 2229/4885
US-20100115711-A1 COMPOSITION FOR THE DYEING OF KERATIN FIBERS COMPRISING AT LEAST ONE 3-AMINO-PYRAZOLOPYRIDINE DERIVATIVE KRT18, MARK1, MARK2 SMO 1198/4885PIK3CA 1943/4885MTOR 2253/4885

“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.