SCHEMBL18879034

SCHEMBL18879034

CNc1cc(C)nc2cn[nH]c12

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.56
▸ HTT P42858 1/20 0.40
▸ PTK2 Q05397 1/20 0.40
▸ TERT O14746 1/20 0.38
▸ NOS3 P29474 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TGFBR1 P36897 3/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2C8 P10632 2/20 0.32
▸ NQO2 P16083 2/20 0.32
▸ NQO1 P15559 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31

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
SCHEMBL10817816 0.81 SLC2A1 (0.59) SLC2A1HTTPTK2MAPTTGFBR1
SCHEMBL10803018 0.81 SLC2A1 (0.52) SLC2A1HTTPTK2MAPTNQO2
SCHEMBL10805234 0.78 SLC2A1 (0.74) SLC2A1HTTMAPTTGFBR1L3MBTL1
SCHEMBL10804993 0.78 SLC2A1 (0.49) SLC2A1HTTPTK2NQO2
SCHEMBL10507503 0.78 CYP2C19 (0.52) SLC2A1HTTPTK2NQO2KDM4E
SCHEMBL10801863 0.78 SLC2A1 (0.70) SLC2A1HTTMAPTL3MBTL1KDM4E
SCHEMBL20272422 0.77 SLC2A1 (0.47) SLC2A1HTTPTK2MAPTKDM4E
SCHEMBL10506617 0.77 SLC2A1 (0.48) SLC2A1HTTPTK2MAPTCYP3A4
SCHEMBL10801118 0.77 SLC2A1 (0.48) SLC2A1HTTNQO2
SCHEMBL10803203 0.77 SLC2A1 (0.57) SLC2A1MAPTL3MBTL1CYP3A4KDM4E

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-20170145009-A1 HETEROCYCLIC COMPOUNDS THAT INHIBIT THE KINASE ACTIVITY OF MNK USEFUL FOR TREATING VARIOUS CANCERS EFFECTOR THERAPEUTICS, INC. 2017-05-25 — — 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-20170145009-A1 HETEROCYCLIC COMPOUNDS THAT INHIBIT THE KINASE ACTIVITY OF MNK USEFUL FOR TREATING VARIOUS CANCERS MAP3K9, MAP3K19, MAP3K20 SLC2A1 3888/4885HTT 4376/4885PTK2 192/4885

“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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