SCHEMBL5240286

SCHEMBL5240286

O=C(Nc1cccnc1C(=O)Nc1ccccc1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.58
POLB P06746 1/20 0.57
HTT P42858 1/20 0.57
JAK2 O60674 1/20 0.57
TYK2 P29597 1/20 0.57
NAMPT P43490 2/20 0.56
HDAC3 O15379 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC2 Q92769 1/20 0.55
NCOR2 Q9Y618 1/20 0.55
ATR Q13535 1/20 0.55
KCNK3 O14649 2/20 0.55
KCNK9 Q9NPC2 2/20 0.55
SIRT1 Q96EB6 1/20 0.54
PTPN1 P18031 3/20 0.53
ADORA3 P0DMS8 1/20 0.52
PABPC1 P11940 1/20 0.52

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
SCHEMBL5231779 0.90 NAMPT (0.74) NAMPTKCNK3
SCHEMBL5232957 0.87 RAB9A (0.68) POLBNCOR2KCNK9
SCHEMBL5233340 0.87 KCNK3 (0.55) KDRPOLBJAK2TYK2NAMPT
SCHEMBL27874235 0.86 KDR (0.63) KDRPOLBHDAC3HDAC1HDAC2
SCHEMBL5230352 0.83 MEN1 (0.62) KDRPOLB
SCHEMBL5231352 0.80 KMT2A (0.56) KDRNAMPTHDAC3HDAC1HDAC2
SCHEMBL7974510 0.80 ATR (0.59) KDRPOLBHTTATRADORA3
SCHEMBL939975 0.79 ATR (0.49) KDRATR
SCHEMBL24202631 0.78 SIRT1 (0.83) POLBHTTJAK2TYK2HDAC2
N-Phenylbenzamide SCHEMBL5402750 0.78 SIRT1 (0.83) POLBHTTJAK2TYK2HDAC2

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
US-20070225292-A1 Therapeutic Compounds: Pyridine as Scaffold ASTRAZENECA AB (SE) 2007-09-27 US claimed
EP-1756060-A1 THERAPEUTIC COMPOUNDS: PYRIDINE AS SCAFFOLD AstraZeneca AB (SE) 2007-02-28 EP claimed
WO-2005115986-A1 THERAPEUTIC COMPOUNDS: PYRIDINE AS SCAFFOLD ASTRAZENECA AB (SE) 2005-12-08 WO claimed
US-20070225292-A1 Therapeutic Compounds: Pyridine as Scaffold ASTRAZENECA AB (SE) 2007-09-27 US disclosed
EP-1756060-A1 THERAPEUTIC COMPOUNDS: PYRIDINE AS SCAFFOLD AstraZeneca AB (SE) 2007-02-28 EP disclosed
WO-2005115986-A1 THERAPEUTIC COMPOUNDS: PYRIDINE AS SCAFFOLD ASTRAZENECA AB (SE) 2005-12-08 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-20070225292-A1 Therapeutic Compounds: Pyridine as Scaffold OPRL1, OPRK1, P2RX3 KDR 1205/4885POLB 4718/4885HTT 2996/4885

“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.