SCHEMBL7608841

SCHEMBL7608841

CN1N=C(c2ccncc2)C(=O)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
AURKA O14965 1/20 0.38
TTK P33981 1/20 0.38
AURKB Q96GD4 1/20 0.38
INCENP Q9NQS7 1/20 0.38
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
CDC7 O00311 3/20 0.36
ROCK1 Q13464 2/20 0.36
DBF4 Q9UBU7 2/20 0.36
PDE3B Q13370 3/20 0.34
PDE3A Q14432 3/20 0.34
BACE1 P56817 2/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
HTR6 P50406 1/20 0.34
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
PKN2 Q16513 2/20 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
SCHEMBL6735332 0.66 ALDH1A1 (0.42) GAAMAPTLMNANPC1ALDH1A1
SCHEMBL11094288 0.64 MAPT (0.40) AURKATTKAURKBINCENPMAPT
SCHEMBL11236462 0.63 PDE4A (0.50) GAAAURKATTKAURKBINCENP
Hydrochloric Acid SCHEMBL11238842 0.62 PDE4A (0.49) GAAAURKATTKAURKBINCENP
SCHEMBL6931200 0.62 BACE1 (0.38) GAAAURKATTKAURKBINCENP
SCHEMBL6730854 0.60
Ethane SCHEMBL27940957 0.60 MAPT (0.85) GAAMAPTLMNAALDH1A1TP53
SCHEMBL6730881 0.59 NR1H2 (0.37) GAAMAPTLMNAALDH1A1RAB9A
SCHEMBL9728 0.59 MAPT (1.00) GAAMAPTLMNAALDH1A1TP53
SCHEMBL22770028 0.59 MAPT (0.44) GAAMAPTLMNACDC7CDK2

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
US-20020031536-A1 Cosmetic compositions based on 4,5-pyrazolinediones, novel 4,5-pyrazolinediones, process for their preparation and uses thereof L'OREAL SA 2002-03-14 US claimed
US-6322775-B1 FOR COLORING THE SKIN AND/OR THE HAIR; SIDE EFFECTS REDUCTION; STABILITY L'OREAL S.A. (FR) 2001-11-27 US claimed
EP-0888306-B1 COSMETIC COMPOSITIONS CONTAINING PYRAZOLIN-4,5-DIONES, NOVEL PYRAZOLIN-4,5-DIONES, PREPARATION METHODS THEREFOR AND USES THEREOF OREAL (FR) 2001-07-25 EP claimed
EP-0888306-A1 COSMETIC COMPOSITIONS CONTAINING PYRAZOLIN-4,5-DIONES, NOVEL PYRAZOLIN-4,5-DIONES, PREPARATION METHODS THEREFOR AND USES THEREOF L'OREAL (FR) 1999-01-07 EP claimed
WO-1997035842-A1 COSMETIC COMPOSITIONS CONTAINING PYRAZOLIN-4,5-DIONES, NOVEL PYRAZOLIN-4,5-DIONES, PREPARATION METHODS THEREFOR AND USES THEREOF L'OREAL (FR) 1997-10-02 WO claimed
US-20020031536-A1 Cosmetic compositions based on 4,5-pyrazolinediones, novel 4,5-pyrazolinediones, process for their preparation and uses thereof L'OREAL SA 2002-03-14 US disclosed
US-6322775-B1 FOR COLORING THE SKIN AND/OR THE HAIR; SIDE EFFECTS REDUCTION; STABILITY L'OREAL S.A. (FR) 2001-11-27 US disclosed
EP-0888306-B1 COSMETIC COMPOSITIONS CONTAINING PYRAZOLIN-4,5-DIONES, NOVEL PYRAZOLIN-4,5-DIONES, PREPARATION METHODS THEREFOR AND USES THEREOF OREAL (FR) 2001-07-25 EP disclosed
EP-0888306-A1 COSMETIC COMPOSITIONS CONTAINING PYRAZOLIN-4,5-DIONES, NOVEL PYRAZOLIN-4,5-DIONES, PREPARATION METHODS THEREFOR AND USES THEREOF L'OREAL (FR) 1999-01-07 EP disclosed
WO-1997035842-A1 COSMETIC COMPOSITIONS CONTAINING PYRAZOLIN-4,5-DIONES, NOVEL PYRAZOLIN-4,5-DIONES, PREPARATION METHODS THEREFOR AND USES THEREOF L'OREAL (FR) 1997-10-02 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-20020031536-A1 Cosmetic compositions based on 4,5-pyrazolinediones, novel 4,5-pyrazolinediones, process for their preparation and uses thereof PPARD, PLIN5, PDK4 GAA 3671/4885AURKA 1084/4885TTK 3867/4885

“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.