SCHEMBL4891023

SCHEMBL4891023

Nc1cc(-c2c[nH]nc2N=Nc2cc[nH]n2)cc(N)c1-c1cccc2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 1/20 0.33
▸ CDK2 P24941 3/20 0.32
▸ CCNT1 O60563 2/20 0.32
▸ CCNA2 P20248 2/20 0.32
▸ CDK9 P50750 2/20 0.32
▸ CCNE2 O96020 1/20 0.31
▸ CCNE1 P24864 1/20 0.31
▸ PDGFRB P09619 1/20 0.30
▸ TYMP P19971 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 0.83 DHFR (0.37) DHFRCDK2CCNT1CCNA2CDK9
SCHEMBL2554756 0.75 ALDH1A1 (0.30) —
SCHEMBL11589765 0.69 CCNE2 (0.50) CDK2CCNE2CCNE1
SCHEMBL1876908 0.67 — —
SCHEMBL10803025 0.66 — —
Naphthalene SCHEMBL11589769 0.65 CYP2A6 (0.36) —
SCHEMBL11745392 0.65 DHFR (0.46) DHFRCDK2CCNE2CCNE1TYMP
SCHEMBL28257868 0.64 KDM4E (0.43) —
SCHEMBL3837800 0.63 CCNE2 (0.30) CDK2CCNE2CCNE1
SCHEMBL2108116 0.61 GAA (0.57) CDK2CCNT1CCNA2CDK9CCNE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786779-A1 4-ARYLAZO-3,5-DIAMINO-PYRAZOLE COMPOUNDS AND USE THEREOF INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) 2007-05-23 — — EP claimed
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 claimed
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 DHFR 105/4885CDK2 13/4885CCNT1 39/4885

“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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