SCHEMBL4882905

SCHEMBL4882905

Nc1n[nH]c(N)c1N=Nc1ccc(-c2ccc(N=Nc3c(N)n[nH]c3N)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 9/20 0.75
CDK2 P24941 9/20 0.75
GAA P10253 7/20 0.75
MAPT P10636 7/20 0.75
MEN1 O00255 7/20 0.75
KMT2A Q03164 7/20 0.75
CCNE2 O96020 7/20 0.75
CCNT1 O60563 5/20 0.75
CDK9 P50750 5/20 0.75
GFER P55789 4/20 0.75
CDK4 P11802 4/20 0.75
CCND1 P24385 4/20 0.75
CDK7 P50613 3/20 0.75
CCNH P51946 3/20 0.75
RAB9A P51151 3/20 0.75
L3MBTL1 Q9Y468 3/20 0.75
CDK1 P06493 2/20 0.75
CCNB1 P14635 2/20 0.75
NPC1 O15118 2/20 0.75
MAPK1 P28482 2/20 0.75

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
SCHEMBL4882884 1.00 CCNE1 (0.75) CCNE1CDK2GAAMAPTMEN1
SCHEMBL3310182 0.86 CCNE1 (1.00) CCNE1CDK2GAAMAPTMEN1
SCHEMBL3836615 0.86 MAPT (1.00) CCNE1CDK2GAAMAPTMEN1
SCHEMBL12589685 0.86 CCNE1 (1.00) CCNE1CDK2GAAMAPTMEN1
SCHEMBL3839801 0.86 GAA (1.00) CCNE1CDK2GAAMAPTMEN1
SCHEMBL3837703 0.86 MAPT (0.71) CCNE1CDK2GAAMAPTMEN1
SCHEMBL3837559 0.85 CCNE1 (1.00) CCNE1CDK2GAAMAPTMEN1
SCHEMBL3837556 0.85 CCNE1 (1.00) CCNE1CDK2GAAMAPTMEN1
SCHEMBL4890889 0.84 CCNE1 (0.69) CCNE1CDK2GAAMAPTMEN1
SCHEMBL4893821 0.84 CCNE1 (0.69) CCNE1CDK2GAAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8357673-B2 4-arylazo-3,5-diamino-pyrazole compounds and use thereof UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2013-01-22 US disclosed
US-20080312238-A1 4-Arylazo-3,5-Diamino-Pyrazole Compounds and Use Thereof INSTITUTE OF EXPERIMENTAL BONTANY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC, V.V.I. (CZ) 2008-12-18 US disclosed
EP-1786779-A1 4-ARYLAZO-3,5-DIAMINO-PYRAZOLE COMPOUNDS AND USE THEREOF INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) 2007-05-23 EP disclosed
WO-2006024858-A1 4-ARYLAZO-3,5-DIAMINO-PYRAZOLE COMPOUNDS AND USE THEREOF INSTITUTE OF EXPERIMENTAL BOTANY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 2006-03-09 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-20080312238-A1 4-Arylazo-3,5-Diamino-Pyrazole Compounds and Use Thereof CDK9, CDK3, CDK19 CCNE1 93/4885CDK2 13/4885GAA 1275/4885

“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.