SCHEMBL6004377

SCHEMBL6004377

Nc1c(-c2ccccc2)nn(CCCn2nc(-c3ccccc3)c(N)c2N)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 3/20 0.42
CYP1A2 P05177 2/20 0.42
CRHBP P24387 2/20 0.41
CRHR2 Q13324 2/20 0.41
PTGIR P43119 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MERTK Q12866 3/20 0.39
CSF1R P07333 1/20 0.38
FGFR1 P11362 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
Hydrochloric Acid SCHEMBL6755862 0.98 KDM4E (0.42) KDM4ETSHRHSD17B10MEN1KMT2A
SCHEMBL1801451 0.86 ESR1 (0.43) KDM4ETSHRHSD17B10MAPTPTGIR
SCHEMBL29041058 0.82 MEN1 (0.50) KDM4ETSHRMEN1KMT2AMAPT
SCHEMBL33804 0.76 MAPT (0.55) KDM4EHSD17B10MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL6259439 0.74 MAPT (0.53) KDM4EHSD17B10MEN1KMT2AMAPT
SCHEMBL4913392 0.73 ALDH1A1 (0.45) KDM4EHSD17B10KMT2AMAPTCYP1A2
SCHEMBL4914514 0.72 ALDH1A1 (0.44) KDM4EHSD17B10MAPTCYP1A2CYP2C9
SCHEMBL27493933 0.71 CYP1A2 (0.42) KDM4ETSHRHSD17B10MEN1KMT2A
SCHEMBL1800736 0.70 NPC1 (0.54) KDM4EMEN1KMT2AMAPTCYP1A2
SCHEMBL13858541 0.70 KDM4E (0.49) KDM4ETSHRHSD17B10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257249-B1 DIAMINOPYRAZOLE DERIVATIVES AND OXIDATION HAIR DYE CONTAINING PYRAZOLONE DERIVATIVES WELLA AG (DE) 2006-11-02 EP claimed
US-7018426-B2 Oxidation dye WELLA AG (DE) 2006-03-28 US claimed
EP-1313434-B1 OXIDATION DYE WELLA AG (DE) 2005-01-12 EP claimed
US-6793687-B2 YELLOW AND ORANGE RANGE COLORING WELLA AKTIENGESELLSCHAFT (DE) 2004-09-21 US claimed
US-6716257-B2 OXIDATION DYES, WHICH ARE USED FOR TREATMENT OF HUMAN HAIR WELLA AKTIENGESELLSCHAFT (DE) 2004-04-06 US claimed
EP-1236460-B1 Bridged diamino pyrazoles and colouring agents containing them WELLA AG (DE) 2003-11-26 EP claimed
US-20030159222-A1 Oxidation dye HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2003-08-28 US claimed
US-20030131423-A1 Diaminopyrazole derivatives and oxidation hair dye containing pyrazolone derivatives HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-07-17 US claimed
US-20020170125-A1 Bridged diaminopyrazole compounds and dye compositions containing same HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2002-11-21 US claimed
EP-1236460-A1 Bridged diamino pyrazoles and colouring agents containing them Wella Aktiengesellschaft (DE) 2002-09-04 EP claimed
EP-1257249-B1 DIAMINOPYRAZOLE DERIVATIVES AND OXIDATION HAIR DYE CONTAINING PYRAZOLONE DERIVATIVES WELLA AG (DE) 2006-11-02 EP disclosed
US-7018426-B2 Oxidation dye WELLA AG (DE) 2006-03-28 US disclosed
EP-1586302-A1 Dye composition comprising at least one pyrazolopyrimidine as oxidation base and at least one 6-alkoxy-2,3-diaminopyridine as coupler L'OREAL (FR) 2005-10-19 EP disclosed
EP-1313434-B1 OXIDATION DYE WELLA AG (DE) 2005-01-12 EP disclosed
US-6793687-B2 YELLOW AND ORANGE RANGE COLORING WELLA AKTIENGESELLSCHAFT (DE) 2004-09-21 US disclosed
EP-1405628-A1 Dyeing composition comprising at least one pyrazolopyrimidine oxidation base and at least one 6-alkoxy-2,3-diaminopyrimidine coupler L'OREAL (FR) 2004-04-07 EP disclosed
EP-1236460-B1 Bridged diamino pyrazoles and colouring agents containing them WELLA AG (DE) 2003-11-26 EP disclosed
US-20030159222-A1 Oxidation dye HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2003-08-28 US disclosed
US-20030131423-A1 Diaminopyrazole derivatives and oxidation hair dye containing pyrazolone derivatives HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-07-17 US 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-20030159222-A1 Oxidation dye KRT18, NOX4, VIM KDM4E 2382/4885TSHR 4742/4885HSD17B10 765/4885
US-20030131423-A1 Diaminopyrazole derivatives and oxidation hair dye containing pyrazolone derivatives KRT18, AOC1, PPOX KDM4E 1906/4885TSHR 4214/4885HSD17B10 1215/4885
US-20020170125-A1 Bridged diaminopyrazole compounds and dye compositions containing same ALK, DDC, CBR1 KDM4E 1827/4885TSHR 3885/4885HSD17B10 583/4885

“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.