SCHEMBL6003395

SCHEMBL6003395

COc1cc(Cn2ncc(N)c2N)c(Cn2ncc(N)c2N)cc1OC

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 3/20 0.35
P2RX2 Q9UBL9 3/20 0.35
SLC2A1 P11166 1/20 0.35
HTR2A P28223 2/20 0.35
CYP19A1 P11511 1/20 0.35
TSHR P16473 1/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTR2C P28335 1/20 0.34
HPGDS O60760 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
QPCT Q16769 1/20 0.34
QPCTL Q9NXS2 1/20 0.34
NPBWR1 P48145 1/20 0.33

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
SCHEMBL6002675 0.93 TSHR (0.36) HTR2ACYP19A1TSHRGAAMAPT
SCHEMBL4803702 0.83 NPBWR1 (0.50) TSHRGAAMAPTTDP1ALDH1A1
SCHEMBL6003921 0.75 TSHR (0.42) TSHRSMN1; SMN2TDP1ALDH1A1NPBWR1
SCHEMBL6002694 0.73 TSHR (0.47) TSHRGAAMAPTSMN1; SMN2ALDH1A1
SCHEMBL6003946 0.72 TSHR (0.41) TSHRSMN1; SMN2TDP1ALDH1A1NPBWR1
SCHEMBL1801455 0.72 NPBWR1 (0.54) TSHRGAAMAPTSMN1; SMN2ALDH1A1
SCHEMBL6002686 0.72 ALDH1A1 (0.39) TSHRGAAMAPTSMN1; SMN2ALDH1A1
SCHEMBL1801928 0.71 MEN1 (0.59) TSHRMAPTSMN1; SMN2ALDH1A1
SCHEMBL4805719 0.70 TSHR (0.53) TSHRMAPTALDH1A1NPBWR1
SCHEMBL6242716 0.69 TSHR (0.44) TSHRGAAMAPTSMN1; SMN2ALDH1A1

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 16 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
US-6793687-B2 YELLOW AND ORANGE RANGE COLORING WELLA AKTIENGESELLSCHAFT (DE) 2004-09-21 US 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 P2RX3 3619/4885P2RX2 2998/4885SLC2A1 1582/4885
US-20030131423-A1 Diaminopyrazole derivatives and oxidation hair dye containing pyrazolone derivatives KRT18, AOC1, PPOX P2RX3 1887/4885P2RX2 2544/4885SLC2A1 3567/4885
US-20020170125-A1 Bridged diaminopyrazole compounds and dye compositions containing same ALK, DDC, CBR1 P2RX3 823/4885P2RX2 1839/4885SLC2A1 2493/4885

“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.