SCHEMBL3838874

SCHEMBL3838874

Nc1n[nH]c(N)c1N=Nc1cc(Cl)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 11/20 0.59
CDK2 P24941 11/20 0.59
CCNE2 O96020 9/20 0.59
CCNT1 O60563 6/20 0.59
CDK9 P50750 6/20 0.59
CDK4 P11802 4/20 0.59
CCND1 P24385 4/20 0.59
CDK1 P06493 3/20 0.59
CCNB1 P14635 3/20 0.59
CDK7 P50613 3/20 0.59
CCNH P51946 3/20 0.59
CCNB2 O95067 2/20 0.59
CCNA2 P20248 2/20 0.59
CCNA1 P78396 2/20 0.59
CCNB3 Q8WWL7 2/20 0.59
GAA P10253 7/20 0.50
MAPT P10636 6/20 0.50
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL3839605 0.81 CCNE1 (0.69) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL3836612 0.80 CCNE1 (0.57) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL3842256 0.76 CCNE1 (0.64) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL3837364 0.76 CCNE1 (0.64) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL3837961 0.75 CCNE1 (0.61) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL3837525 0.75 CCNE1 (1.00) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL3837165 0.73 GAA (0.70) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL3837298 0.73 CCNE1 (0.61) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL3836632 0.71 GAA (0.72) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL3837968 0.71 GAA (0.59) CCNE1CDK2CCNE2CCNT1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786779-B1 4-ARYLAZO-3,5-DIAMINO-PYRAZOLE COMPOUNDS AND USE THEREOF INST OF EX BOTANY OF THE ASCR (CZ) 2009-10-28 EP claimed
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 claimed
US-8357673-B2 4-arylazo-3,5-diamino-pyrazole compounds and use thereof UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2013-01-22 US disclosed
EP-1786779-B1 4-ARYLAZO-3,5-DIAMINO-PYRAZOLE COMPOUNDS AND USE THEREOF INST OF EX BOTANY OF THE ASCR (CZ) 2009-10-28 EP 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 13/4885CCNE2 279/4885

“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.