SCHEMBL1818323

SCHEMBL1818323

Cc1cc(N)n2ncc(N)c2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.59
KDM4E B2RXH2 8/20 0.59
MAPT P10636 8/20 0.59
NPC1 O15118 8/20 0.59
ALDH1A1 P00352 8/20 0.59
MEN1 O00255 6/20 0.59
KMT2A Q03164 6/20 0.59
HPGD P15428 6/20 0.59
SMN1; SMN2 Q16637 6/20 0.59
HSD17B10 Q99714 2/20 0.59
TP53 P04637 1/20 0.59
ALOX15 P16050 1/20 0.59
TSHR P16473 1/20 0.59
MAPK1 P28482 1/20 0.59
GFER P55789 1/20 0.59
NPSR1 Q6W5P4 3/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56

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
Hydrochloric Acid SCHEMBL6620222 0.98 MAPT (0.58) RAB9AKDM4EMAPTNPC1ALDH1A1
Hydrochloric Acid SCHEMBL6382793 0.98 MAPT (0.58) RAB9AKDM4EMAPTNPC1ALDH1A1
SCHEMBL7460087 0.85 KDM4E (0.57) RAB9AKDM4EMAPTNPC1ALDH1A1
SCHEMBL7466198 0.82 RAB9A (0.43) RAB9AKDM4EMAPTNPC1ALDH1A1
SCHEMBL5317916 0.81 KDM4E (0.42) RAB9AKDM4EMAPTNPC1ALDH1A1
SCHEMBL31465402 0.81 MAPT (0.61) RAB9AKDM4EMAPTNPC1ALDH1A1
Hydrochloric Acid SCHEMBL8156856 0.80 KDM4E (0.41) RAB9AKDM4EMAPTNPC1ALDH1A1
SCHEMBL23181411 0.79 RAB9A (0.54) RAB9AKDM4EMAPTNPC1ALDH1A1
SCHEMBL24225890 0.78 KDM4E (0.59) RAB9AKDM4EMAPTNPC1ALDH1A1
SCHEMBL7455608 0.73 KDM4E (0.49) RAB9AKDM4EMAPTNPC1ALDH1A1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6635091-B2 Oxidation color dye and coupler L'OREAL S. A. (FR) 2003-10-21 US claimed
US-20020178512-A1 Oxidation dyeing composition for keratinous fibres comprising a n-(2-hydrobenzene)-carbamate or a n-(2-hydroxy-benzene)-urea and a pyrazolopyrimine, dyeing methods L'OREAL SA (FR) 2002-12-05 US claimed
US-20020032934-A1 Composition for oxidation dyeing of keratin fibers, comprising at least one oxidation base chosen from 5-methylpyrazolo(1,5-a)pyrimidine-3,7-diamine and addition salts thereof; dyeing processes using them L'OREAL S.A. (FR) 2002-03-21 US claimed
EP-1175198-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES COMPRISING A N-(2-HYDROBENZENE)-CARBAMATE OR A N-(2-HYDROXY-BENZENE)-UREA AND A PYRAZOLOPYRIMINE, DYEING METHODS L'OREAL (FR) 2002-01-30 EP claimed
EP-1155680-A1 Oxidation dyeing compositions for keratinous fibres comprising at least 5-methylpyrazolo(1,5-a)pyrimidine-3,7-diamine as oxidation base ; dyeing method of use therof L'OREAL (FR) 2001-11-21 EP claimed
US-20010034914-A1 Compositions for the oxidation dyeing of keratinous fibers comprising at least one coupler, and dyeing methods L'OREAL S.A. (FR) 2001-11-01 US claimed
WO-2001062220-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES COMPRISING A N-(2-HYDROBENZENE)-CARBAMATE OR A N-(2-HYDROXY-BENZENE)-UREA AND A PYRAZOLOPYRIMINE, DYEING METHODS L'OREAL (FR) 2001-08-30 WO claimed
EP-2352483-A1 HAIR COLOURING METHOD COMPRISING AFTERTREATMENT Henkel AG & Co. KGaA (DE) 2011-08-10 EP disclosed
EP-2315576-A1 CATIONIC ACETYLPYRIDINIUM DERIVATIVES FOR USE AS BLEACH ACTIVATORS Henkel AG & Co. KGaA (DE) 2011-05-04 EP disclosed
WO-2010060730-A1 HAIR COLOURING METHOD COMPRISING AFTERTREATMENT HENKEL AG & CO. KGAA (DE) 2010-06-03 WO disclosed
WO-2010022996-A1 CATIONIC ACETYLPYRIDINIUM DERIVATIVES FOR USE AS BLEACH ACTIVATORS HENKEL AG & CO. KGAA (DE) 2010-03-04 WO disclosed
EP-1129689-B1 Keratinous fiber dyeing composition comprising N-(2-hydroxybenzene)-carbamate or N-(2-hydroxybenzene)urea derivatives as coupling agents and process for dyeing OREAL (FR) 2008-07-09 EP disclosed
EP-1457199-B1 Coupling agents having a 2,3,5-triaminopyridine structure and their use for dyeing keratinic fibres OREAL (FR) 2008-05-14 EP disclosed
EP-1175198-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES COMPRISING A N-(2-HYDROBENZENE)-CARBAMATE OR A N-(2-HYDROXY-BENZENE)-UREA AND A PYRAZOLOPYRIMINE, DYEING METHODS L'OREAL (FR) 2002-01-30 EP disclosed
EP-1155680-A1 Oxidation dyeing compositions for keratinous fibres comprising at least 5-methylpyrazolo(1,5-a)pyrimidine-3,7-diamine as oxidation base ; dyeing method of use therof L'OREAL (FR) 2001-11-21 EP disclosed
EP-1155680-A1 Oxidation dyeing compositions for keratinous fibres comprising at least 5-methylpyrazolo(1,5-a)pyrimidine-3,7-diamine as oxidation base ; dyeing method of use therof L'OREAL (FR) 2001-11-21 EP disclosed
EP-1155680-A1 Oxidation dyeing compositions for keratinous fibres comprising at least 5-methylpyrazolo(1,5-a)pyrimidine-3,7-diamine as oxidation base ; dyeing method of use therof L'OREAL (FR) 2001-11-21 EP disclosed
US-20010034914-A1 Compositions for the oxidation dyeing of keratinous fibers comprising at least one coupler, and dyeing methods L'OREAL S.A. (FR) 2001-11-01 US disclosed
EP-1129689-A2 Keratinous fiber dyeing composition comprising N-(2-hydroxybenzene)-carbamate or N-(2-hydroxybenzene)urea derivatives as coupling agents and process for dyeing L'OREAL (FR) 2001-09-05 EP disclosed
WO-2001062220-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES COMPRISING A N-(2-HYDROBENZENE)-CARBAMATE OR A N-(2-HYDROXY-BENZENE)-UREA AND A PYRAZOLOPYRIMINE, DYEING METHODS L'OREAL (FR) 2001-08-30 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 (3 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-20010034914-A1 Compositions for the oxidation dyeing of keratinous fibers comprising at least one coupler, and dyeing methods KRT18, FH, FGB RAB9A 4478/4885KDM4E 868/4885MAPT 563/4885
US-20020178512-A1 Oxidation dyeing composition for keratinous fibres comprising a n-(2-hydrobenzene)-carbamate or a n-(2-hydroxy-benzene)-urea and a pyrazolopyrimine, dyeing methods FH, KRT18, CYB5R3 RAB9A 4737/4885KDM4E 1443/4885MAPT 879/4885
US-20020032934-A1 Composition for oxidation dyeing of keratin fibers, comprising at least one oxidation base chosen from 5-methylpyrazolo(1,5-a)pyrimidine-3,7-diamine and addition salts thereof; dyeing processes using them KRT18, UNG, DPYD RAB9A 4731/4885KDM4E 259/4885MAPT 662/4885

“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.