SCHEMBL3944376

SCHEMBL3944376

Nc1cnn(CCCn2ncc(N)c2N)c1N

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
PNP P00491 3/20 0.31
SIGMAR1 Q99720 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
Hydrochloric Acid SCHEMBL6759507 0.98 TSHR (0.32) TSHRPNP
SCHEMBL2923881 0.90 TSHR (0.34) TSHRSIGMAR1
SCHEMBL5160720 0.89 HTR2A (0.32) TSHR
Hydrochloric Acid SCHEMBL6757419 0.88 TSHR (0.33) TSHRSIGMAR1
SCHEMBL5398725 0.87 ADORA2A (0.33)
SCHEMBL5162512 0.87 HTR2A (0.31)
SCHEMBL5387962 0.87 SLC9A1 (0.36)
SCHEMBL2476916 0.86 TLR8 (0.41)
Bromide SCHEMBL5394313 0.86 ADORA2A (0.33)
SCHEMBL5394303 0.86 MPO (0.33) PNP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1413286-B1 Dyeing composition comprising at least one heterocyclic oxidation base and at least one substituted 2,3-diaminopyridine as a coupling agent OREAL (FR) 2009-04-22 EP claimed
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-1586303-A1 Dye composition comprising at least one diaminopyrazole as oxidation base and at least one 6-alkoxy-2,3-diaminopyridine as coupler L'OREAL (FR) 2005-10-19 EP 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
EP-1457198-A1 Dyeing composition comprising at least one diaminopyrazole precursor and at least one 6-alcoxy 2,3-diaminopyridine coupler L'OREAL (FR) 2004-09-15 EP claimed
EP-1413286-A1 Dyeing composition comprising at least one heterocyclic oxidation base and at least one substituted 2,3-diaminopyridine as a coupling agent L'OREAL (FR) 2004-04-28 EP 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-1413286-B1 Dyeing composition comprising at least one heterocyclic oxidation base and at least one substituted 2,3-diaminopyridine as a coupling agent OREAL (FR) 2009-04-22 EP disclosed
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-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 TSHR 4742/4885PNP 4723/4885SIGMAR1 2300/4885
US-20030131423-A1 Diaminopyrazole derivatives and oxidation hair dye containing pyrazolone derivatives KRT18, AOC1, PPOX TSHR 4214/4885PNP 3253/4885SIGMAR1 3319/4885
US-20020170125-A1 Bridged diaminopyrazole compounds and dye compositions containing same ALK, DDC, CBR1 TSHR 3885/4885PNP 3215/4885SIGMAR1 328/4885

“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.