SCHEMBL7123829

SCHEMBL7123829

Cc1cc(I)c(C)c(N)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.41
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
IDO1 P14902 1/20 0.34
ALDH1A1 P00352 5/20 0.33
HPGD P15428 5/20 0.33
GAA P10253 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
PRKCI P41743 1/20 0.33
NCF1 P14598 1/20 0.32
TERT O14746 1/20 0.32
POLB P06746 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
PPARG P37231 1/20 0.32

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
SCHEMBL7653946 0.75 KDM4E (0.43) KDM4ENOS3NOS1NOS2IDO1
SCHEMBL11985899 0.75 POLB (0.35) NOS3NOS1NOS2POLBAPOBEC3G
SCHEMBL8344113 0.75 KDM4E (0.54) KDM4ENOS3NOS1NOS2IDO1
SCHEMBL26694656 0.73 KDM4E (0.42) KDM4ENOS3NOS1NOS2IDO1
SCHEMBL22030731 0.71 NOS3 (0.39) KDM4ENOS3NOS1NOS2IDO1
SCHEMBL14108670 0.68
SCHEMBL31330045 0.68 KDM4E (0.38) KDM4ENOS3NOS1NOS2IDO1
SCHEMBL31330044 0.68 KDM4E (0.38) KDM4ENOS3NOS1NOS2IDO1
SCHEMBL23181492 0.68 NOS3 (0.37) KDM4ENOS3NOS1NOS2ADORA2A
SCHEMBL27062050 0.67 KDM4E (0.37) KDM4ENOS3NOS1NOS2IDO1

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-3686199-B9 FUSED RING DERIVATIVE AS A2A RECEPTOR INHIBITOR CSTONE PHARMACEUTICALS SUZHOU CO LTD (CN) 2022-12-07 EP disclosed
US-8653248-B2 2-aminopyridine and 2-pyridone C-nucleosides ISIS PHARMACEUTICALS, INC. (US) 2014-02-18 US disclosed
US-20030120065-A1 2-aminopyridine and 2-pyridone C-nucleosides ISIS PHARMACEUTICALS, INC. 2003-06-26 US disclosed
US-6495672-B1 DIAGNOSIS AND SEPARATION THROUGH TRIPLEX BINDING ISIS PHARMACEUTICALS, INC. 2002-12-17 US disclosed
US-6447998-B1 METHOD OF DETECTING THE PRESENCE, ABSENCE OR AMOUNT OF A PARTICULAR DNA DUPLEX IN A SAMPLE SUSPECTED OF CONTAINING DNA COMPRISING CONTACTING THE SAMPLE WITH AN OLIGOMER OF UNDER CONDITIONS WHEREIN A TRIPLE HELIX IS FORMED BETWEEN THE ISIS PHARMACEUTICALS, INC. 2002-09-10 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-20030120065-A1 2-aminopyridine and 2-pyridone C-nucleosides NT5C2, NT5C3B, TYMP KDM4E 2762/4885NOS3 4306/4885NOS1 4336/4885

“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.