SCHEMBL3837800

SCHEMBL3837800

NC1=C(c2cccc3ccccc23)C(N)(N=Nc2cc[nH]n2)N=N1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCNE2 O96020 1/20 0.30
▸ CCNE1 P24864 1/20 0.30
▸ CDK2 P24941 1/20 0.30

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
SCHEMBL4891007 0.68 DHFR (0.37) CCNE2CCNE1CDK2
SCHEMBL11589765 0.65 CCNE2 (0.50) CCNE2CCNE1CDK2
Naphthalene SCHEMBL11589769 0.64 CYP2A6 (0.36) —
SCHEMBL4891023 0.63 DHFR (0.33) CCNE2CCNE1CDK2
SCHEMBL674356 0.61 NISCH (0.42) —
SCHEMBL30589021 0.61 NISCH (0.42) —
SCHEMBL27596511 0.61 NISCH (0.42) —
SCHEMBL11745392 0.57 DHFR (0.46) CCNE2CCNE1CDK2
SCHEMBL1399839 0.56 ALDH1A1 (0.57) CCNE2CCNE1CDK2
SCHEMBL2108116 0.56 GAA (0.57) CCNE2CCNE1CDK2

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 5 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

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 CCNE2 279/4885CCNE1 93/4885CDK2 13/4885

“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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