SCHEMBL15046487

SCHEMBL15046487

C[N+](C)(C)C1CCN(CCOc2nn3c(c2N)CCCC3)C1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.31
CDK4 P11802 1/20 0.31
CCNA2 P20248 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
CCND3 P30281 1/20 0.31
CDK6 Q00534 1/20 0.31
LTA4H P09960 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL15046488 0.79
SCHEMBL15046485 0.76
SCHEMBL15046460 0.72 HRH4 (0.31)
SCHEMBL3858193 0.72 LTA4H (0.30) LTA4H
Hydrochloric Acid SCHEMBL15016544 0.70 HRH4 (0.30)
SCHEMBL3861651 0.69 LTA4H (0.30) LTA4H
SCHEMBL15016531 0.68 MEN1 (0.32)
SCHEMBL16272637 0.65 MEN1 (0.36)
SCHEMBL15046463 0.65 QPCT (0.41)
SCHEMBL16922780 0.65 KDM4E (0.46) LTA4HKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2790660-B1 CATIONIC TETRAHYDROPYRAZOLOPYRIDINES, DYE COMPOSITION COMPRISING SUCH OXIDATION BASES, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF ORÉAL L (FR) 2016-03-23 EP claimed
EP-2790660-B1 CATIONIC TETRAHYDROPYRAZOLOPYRIDINES, DYE COMPOSITION COMPRISING SUCH OXIDATION BASES, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF ORÉAL L (FR) 2016-03-23 EP disclosed
EP-2790660-B1 CATIONIC TETRAHYDROPYRAZOLOPYRIDINES, DYE COMPOSITION COMPRISING SUCH OXIDATION BASES, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF ORÉAL L (FR) 2016-03-23 EP disclosed
US-9078828-B2 Cationic tetrahydropyrazolopyridines, dye composition comprising such oxidation bases, implementation process therefor and use thereof L'OREAL (FR) 2015-07-14 US disclosed
US-20140352715-A1 CATIONIC TETRAHYDROPYRAZOLOPYRIDINES, DYE COMPOSITION COMPRISING SUCH OXIDATION BASES, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF L'OREAL (FR) 2014-12-04 US disclosed
WO-2013087933-A1 CATIONIC TETRAHYDROPYRAZOLOPYRIDINES, DYE COMPOSITION COMPRISING SUCH OXIDATION BASES, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF L'OREAL (FR) 2013-06-20 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-20140352715-A1 CATIONIC TETRAHYDROPYRAZOLOPYRIDINES, DYE COMPOSITION COMPRISING SUCH OXIDATION BASES, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF KRT18, HADHB, PPIF CDK1 3009/4885CDK4 2572/4885CCNA2 4087/4885

“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.