Sugi Predict

Sugi Predict / Compounds / SCHEMBL3254682

SCHEMBL3254682

SCHEMBL3254682

Nc1cnn(Cc2ccc(Cn3ncc(N)c3N)cc2)c1N

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.55
▸ ALDH1A1 P00352 3/20 0.46
▸ LMNA P02545 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.41
▸ RECQL P46063 1/20 0.40
▸ HTT P42858 2/20 0.39
▸ PKM P14618 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MITF O75030 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ GAA P10253 3/20 0.37
▸ POLB P06746 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ SLC2A1 P11166 1/20 0.36
▸ HPGD P15428 1/20 0.35

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 SCHEMBL6755818 0.98 TSHR (0.53) TSHRALDH1A1LMNANPC1KDM4E
SCHEMBL6002740 0.94 TSHR (0.50) TSHRALDH1A1LMNANPC1KDM4E
SCHEMBL6004065 0.94 TSHR (0.50) TSHRALDH1A1LMNANPC1KDM4E
SCHEMBL33918 0.92 TSHR (0.62) TSHRALDH1A1LMNANPC1HTT
SCHEMBL145302 0.91 NPC1 (0.57) TSHRALDH1A1LMNANPC1HTT
SCHEMBL144813 0.90 TSHR (0.69) TSHRALDH1A1KDM4ERECQLSMN1; SMN2
Hydrochloric Acid SCHEMBL4872292 0.87 KDM4E (0.56) TSHRALDH1A1LMNANPC1KDM4E
SCHEMBL1801455 0.86 NPBWR1 (0.54) TSHRALDH1A1LMNANPC1KDM4E
SCHEMBL6243855 0.86 TSHR (0.47) TSHRALDH1A1LMNANPC1KDM4E
SCHEMBL6003862 0.84 TSHR (0.53) TSHRALDH1A1LMNARECQLHTT

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 32 patents — showing the first 20. 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-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
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-1685091-B1 M-DIAMINOBENZOLES AND THE ACIDIC ADDUCTS THEREOF AND USE THEREOF IN COLOURING AGENTS PROCTER & GAMBLE (US) 2010-05-19 — — EP disclosed
EP-1718601-B1 (3,5-DIAMINOPHENYL)(2,4-DIHYDROXYPHENYL)METHANONE AND ITS ACID ADDUCTS, METHOD FOR THE PRODUCTION OF THE LATTER AND USE OF SAID COMPOUNDS FOR COLOURING FIBRES WELLA AG (DE) 2009-03-25 — — EP disclosed
US-7455697-B2 (3,5-diaminophenyl)(2,4-dihydroxyphenyl)methanone and the acid adducts thereof, method for their preparation and use of these compounds for dyeing fibers WELLA AG (DE) 2008-11-25 — — US disclosed
US-7361198-B2 M-diaminobenzenes, their acid adducts and the use thereof in colorants WELLA AG (DE) 2008-04-22 — — US 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
EP-1313434-A1 OXIDATION DYE Wella Aktiengesellschaft (DE) 2003-05-28 — — EP disclosed
WO-2002069919-A1 OXIDATION DYE WELLA AKTIENGESELLSCHAFT (DE) 2002-09-12 — — 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-20030159222-A1 Oxidation dye KRT18, NOX4, VIM TSHR 4742/4885ALDH1A1 55/4885LMNA 924/4885
US-20030131423-A1 Diaminopyrazole derivatives and oxidation hair dye containing pyrazolone derivatives KRT18, AOC1, PPOX TSHR 4214/4885ALDH1A1 70/4885LMNA 3025/4885
US-20020170125-A1 Bridged diaminopyrazole compounds and dye compositions containing same ALK, DDC, CBR1 TSHR 3885/4885ALDH1A1 11/4885LMNA 699/4885

“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.