SCHEMBL7123821

SCHEMBL7123821

Cc1cc(I)c(C)nc1N

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 4/20 0.38
▸ NOS1 P29475 4/20 0.38
▸ NOS2 P35228 4/20 0.38
▸ LMNA P02545 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.32
▸ TERT O14746 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ NQO1 P15559 1/20 0.31
▸ IDO1 P14902 1/20 0.31
▸ NCF1 P14598 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
SCHEMBL14108680 0.81 NOS3 (0.39) NOS3NOS1NOS2LMNAKDM4E
SCHEMBL17298246 0.81 NOS3 (0.38) NOS3NOS1NOS2KDM4ETERT
SCHEMBL26688044 0.77 KHK (0.36) LMNA
SCHEMBL9753602 0.77 NOS3 (0.44) NOS3NOS1NOS2LMNAKDM4E
SCHEMBL28292898 0.77 NOS3 (0.44) NOS3NOS1NOS2LMNAKDM4E
SCHEMBL27454384 0.75 CYP3A4 (0.43) NOS3NOS1NOS2LMNAKDM4E
SCHEMBL4480880 0.74 NOS3 (0.37) NOS3NOS1NOS2KDM4E
SCHEMBL3220307 0.73 NOS3 (0.48) NOS3NOS1NOS2LMNAKDM4E
Hydrochloric Acid SCHEMBL27496477 0.73 CYP3A4 (0.42) NOS3NOS1NOS2LMNAKDM4E
SCHEMBL10144932 0.71 NOS3 (0.38) NOS3NOS1NOS2LMNAKDM4E

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-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 NOS3 4306/4885NOS1 4336/4885NOS2 4374/4885

“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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