SCHEMBL6494259

SCHEMBL6494259

O=C(c1ccnc(C2CC2)c1)c1ccnc(C2CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 1/20 0.50
HDAC4 P56524 4/20 0.46
HDAC3 O15379 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
KDM4C Q9H3R0 4/20 0.38
KDM4A O75164 3/20 0.38
SMYD3 Q9H7B4 1/20 0.38
KMO O15229 1/20 0.38
KDM5A P29375 2/20 0.37
KDM5B Q9UGL1 2/20 0.37
KDM4E B2RXH2 2/20 0.37
KDM6B O15054 2/20 0.37
KDM5C P41229 2/20 0.37
KDM2A Q9Y2K7 2/20 0.37

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
SCHEMBL30504055 0.87 KDM4C (0.53) PROKR1HDAC4HDAC3HDAC7HDAC8
SCHEMBL16094504 0.87 KDM4C (0.53) PROKR1HDAC4HDAC3HDAC7HDAC8
SCHEMBL4173650 0.85 PROKR1 (0.48) PROKR1HDAC4HDAC3HDAC7HDAC8
SCHEMBL25984345 0.85 PROKR1 (0.48) PROKR1HDAC4HDAC3HDAC7HDAC8
Nitrous Acid SCHEMBL29117354 0.81 KDM4C (0.47) PROKR1HDAC4HDAC3HDAC7HDAC8
SCHEMBL16445734 0.81 KDM4E (0.58) PROKR1HDAC4HDAC3HDAC7HDAC8
SCHEMBL16055561 0.80 KMO (0.53) PROKR1KDM4CKDM4AKMOKDM5A
SCHEMBL30379389 0.80 KDM4C (0.50) PROKR1HDAC4HDAC3HDAC7HDAC8
SCHEMBL26087368 0.80 KDM4C (0.50) PROKR1HDAC4HDAC3HDAC7HDAC8
SCHEMBL29211039 0.79 PROKR1 (0.43) PROKR1HDAC4HDAC3HDAC7HDAC8

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-6946463-B2 1,2,5,10-tetrahydropyridazino[4,5-b]quinoline-1,10-diones and their use for the treatment of pain ASTRAZENECA AB (SE) 2005-09-20 US disclosed
US-20040053929-A1 1, 2, 5, 10-tetrahydropyridazino[4,5-b]quinoline-1,10-diones and their use for the treatment of pain ASTRAZENECA AB (SE) 2004-03-18 US disclosed
EP-1325004-A1 1,2,5,10-TETRAHYDROPYRIDAZINO[4,5-B]QUINOLINE-1,10-DIONES AND THEIR USE FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2003-07-09 EP disclosed
WO-2002026741-A1 1,2,5,10-TETRAHYDROPYRIDAZINO[4,5-b]QUINOLINE-1,10-DIONES AND THEIR USE FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2002-04-04 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-20040053929-A1 1, 2, 5, 10-tetrahydropyridazino[4,5-b]quinoline-1,10-diones and their use for the treatment of pain OPRD1, OPRK1, ACHE PROKR1 4836/4885HDAC4 2115/4885HDAC3 973/4885

“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.