SCHEMBL6138824

SCHEMBL6138824

CC(CO)NC(=O)/C=C/c1cc(N)ccc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ TAS1R3 Q7RTX0 3/20 0.38
▸ TAS1R1 Q7RTX1 3/20 0.38
▸ LMNA P02545 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.36
▸ GAA P10253 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ NOS3 P29474 2/20 0.34

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
SCHEMBL6138828 1.00 AURKA (0.41) AURKAAURKBALDH1A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL6138927 0.99 AURKA (0.41) AURKAAURKBALDH1A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL6138929 0.99 AURKA (0.41) AURKAAURKBALDH1A1CYP1A2CYP3A4
SCHEMBL6096691 0.88 SNCA (0.42) AURKAAURKBALDH1A1CYP1A2CYP3A4
SCHEMBL6097318 0.88 ALOX5 (0.43) AURKAAURKBALDH1A1CYP1A2CYP3A4
SCHEMBL6096687 0.88 SNCA (0.42) AURKAAURKBALDH1A1CYP1A2CYP3A4
SCHEMBL6097315 0.88 ALOX5 (0.43) AURKAAURKBALDH1A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL6094367 0.87 ALOX5 (0.42) AURKAAURKBALDH1A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL6094365 0.87 ALOX5 (0.42) AURKAAURKBALDH1A1CYP1A2CYP3A4
SCHEMBL6139245 0.86 AURKA (0.46) AURKAAURKBALDH1A1TAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1263712-B1 3-(2,5-DIAMINOPHENYL)-ACRYLAMIDE DERIVATIVES AND COLOURING AGENTS CONTAINING SAID COMPOUNDS WELLA AG (DE) 2005-12-14 — — EP claimed
US-6699990-B2 COLORFASTNESS; WATERPROOFING; OXIDATIVE COLOR HAIR DYES WELLA AKTIENGESELLSCHAFT (DE) 2004-03-02 — — US claimed
US-20030140431-A1 3-(2,5-Diaminophenyl)-acrylamide derivatives and colouring agents containing said compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-07-31 — — US claimed
EP-1263712-A1 3-(2,5-DIAMINOPHENYL)-ACRYLAMIDE DERIVATIVES AND COLOURING AGENTS CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2002-12-11 — — EP claimed
WO-2002074731-A1 3-(2,5-DIAMINOPHENYL)-ACRYLAMIDE DERIVATIVES AND COLOURING AGENTS CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2002-09-26 — — WO claimed
EP-1263712-B1 3-(2,5-DIAMINOPHENYL)-ACRYLAMIDE DERIVATIVES AND COLOURING AGENTS CONTAINING SAID COMPOUNDS WELLA AG (DE) 2005-12-14 — — EP disclosed
US-6699990-B2 COLORFASTNESS; WATERPROOFING; OXIDATIVE COLOR HAIR DYES WELLA AKTIENGESELLSCHAFT (DE) 2004-03-02 — — US disclosed
US-20030140431-A1 3-(2,5-Diaminophenyl)-acrylamide derivatives and colouring agents containing said compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-07-31 — — US disclosed
EP-1263712-A1 3-(2,5-DIAMINOPHENYL)-ACRYLAMIDE DERIVATIVES AND COLOURING AGENTS CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2002-12-11 — — EP disclosed
WO-2002074731-A1 3-(2,5-DIAMINOPHENYL)-ACRYLAMIDE DERIVATIVES AND COLOURING AGENTS CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2002-09-26 — — 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 (1 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-20030140431-A1 3-(2,5-Diaminophenyl)-acrylamide derivatives and colouring agents containing said compounds DPYD, AOC1, GPX4 AURKA 2777/4885AURKB 2806/4885ALDH1A1 31/4885

“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.

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