SCHEMBL14007697

SCHEMBL14007697

CCc1ccnc(NB(C)O)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.46
▸ NOS3 P29474 1/20 0.46
▸ NOS1 P29475 1/20 0.46
▸ NOS2 P35228 1/20 0.46
▸ RIOK2 Q9BVS4 1/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NR3C2 P08235 7/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMYD3 Q9H7B4 1/20 0.36
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ TRPA1 O75762 1/20 0.33

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
SCHEMBL13003443 0.86 RECQL (0.46) PKMKMT2AALDH1A1SMN1; SMN2NR3C2
SCHEMBL25641594 0.77 SMN1; SMN2 (0.50) PKMNOS2KMT2AMEN1KDM4E
SCHEMBL2056325 0.76 NOS2 (0.53) PKMNOS3NOS1NOS2RIOK2
SCHEMBL31325755 0.76 NOS2 (0.53) PKMNOS3NOS1NOS2RIOK2
SCHEMBL13950725 0.75 RIOK2 (0.49) PKMNOS3NOS1NOS2RIOK2
SCHEMBL25641593 0.74 NR3C2 (0.42) NR3C2
SCHEMBL10444896 0.74 NOS2 (0.52) PKMNOS3NOS1NOS2RIOK2
SCHEMBL2566737 0.74 NOS3 (0.57) PKMNOS3NOS1NOS2RIOK2
SCHEMBL31119421 0.74 NOS3 (0.57) PKMNOS3NOS1NOS2RIOK2
SCHEMBL13180241 0.73 PKM (0.64) PKMNOS3NOS1NOS2RIOK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293696-A1 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents BAYER PHARMACEUTICALS CORPORATION (US) 2008-11-27 — — 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-20080293696-A1 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents ABCC3, HCCS, ABCC2 PKM 2848/4885NOS3 2439/4885NOS1 4333/4885

“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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