SCHEMBL12768181

SCHEMBL12768181

CN/C=C/C(=O)c1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.61
▸ NPC1 O15118 1/20 0.61
▸ NFKB1 P19838 1/20 0.61
▸ RAB9A P51151 1/20 0.61
▸ NFKB2 Q00653 1/20 0.61
▸ RELA Q04206 1/20 0.61
▸ CYP1A1 P04798 6/20 0.58
▸ CYP1A2 P05177 6/20 0.58
▸ CYP1B1 Q16678 6/20 0.58
▸ CYP3A4 P08684 4/20 0.58
▸ CYP2D6 P10635 4/20 0.58
▸ KMT2A Q03164 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.53
▸ LMNA P02545 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ APP P05067 2/20 0.51
▸ GPR52 Q9Y2T5 1/20 0.51
▸ GSK3B P49841 1/20 0.51
▸ GAA P10253 1/20 0.50

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
SCHEMBL14305651 1.00 MAPT (0.61) MAPTNPC1NFKB1RAB9ANFKB2
SCHEMBL14305652 0.83 MAPT (0.57) MAPTNPC1NFKB1RAB9ANFKB2
SCHEMBL14313389 0.83 MAPT (0.57) MAPTNPC1NFKB1RAB9ANFKB2
SCHEMBL14305648 0.83 MAPT (0.57) MAPTNPC1NFKB1RAB9ANFKB2
SCHEMBL166048 0.81 CYP1A1 (0.63) MAPTNPC1NFKB1RAB9ANFKB2
SCHEMBL10036804 0.81 CYP1A1 (0.63) MAPTNPC1NFKB1RAB9ANFKB2
SCHEMBL14305644 0.80 MAPT (0.54) MAPTNPC1NFKB1RAB9ANFKB2
SCHEMBL14313188 0.80 NPC1 (0.77) MAPTNPC1NFKB1RAB9ANFKB2
SCHEMBL14313186 0.79 MAPT (0.53) MAPTNPC1NFKB1RAB9ANFKB2
SCHEMBL10036802 0.79 CYP1A1 (0.65) MAPTNPC1NFKB1RAB9ANFKB2

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-20110097268-A1 RADIOHALOIMATINIBS AND METHODS OF THEIR SYNTHESIS AND USE IN PET IMAGING OF CANCERS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2011-04-28 — — 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-20110097268-A1 RADIOHALOIMATINIBS AND METHODS OF THEIR SYNTHESIS AND USE IN PET IMAGING OF CANCERS ROS1, HRAS, MYC MAPT 1931/4885NPC1 1220/4885NFKB1 2486/4885

“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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