SCHEMBL29439014

SCHEMBL29439014

COc1ccc2nc(C)[nH]c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.61
HSD17B10 Q99714 2/20 0.61
LMNA P02545 2/20 0.61
ALDH1A1 P00352 5/20 0.59
NPC1 O15118 4/20 0.59
HPGD P15428 4/20 0.59
TP53 P04637 3/20 0.59
RAB9A P51151 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
TSHR P16473 1/20 0.59
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
CYP1A2 P05177 7/20 0.58
CYP2E1 P05181 7/20 0.58
CYP3A4 P08684 7/20 0.58
CYP2C8 P10632 7/20 0.58
CYP2D6 P10635 7/20 0.58
CYP2C9 P11712 7/20 0.58
CYP2B6 P20813 7/20 0.58

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
SCHEMBL4371528 1.00 KDM4E (0.61) KDM4EHSD17B10LMNAALDH1A1NPC1
SCHEMBL12909159 0.86 NPC1 (0.54) KDM4EHSD17B10LMNAALDH1A1NPC1
SCHEMBL30572581 0.86 NPC1 (0.54) KDM4EHSD17B10LMNAALDH1A1NPC1
SCHEMBL21905237 0.86 NPC1 (0.54) KDM4EHSD17B10LMNAALDH1A1NPC1
SCHEMBL1286065 0.85 KDM4E (0.57) KDM4EHSD17B10LMNAALDH1A1NPC1
Hydrochloric Acid SCHEMBL31587365 0.84 KDM4E (0.55) KDM4EHSD17B10LMNAALDH1A1NPC1
SCHEMBL30572566 0.81 DHODH (0.61) KDM4EHSD17B10LMNAALDH1A1NPC1
SCHEMBL21905344 0.81 DHODH (0.61) KDM4EHSD17B10LMNAALDH1A1NPC1
SCHEMBL12909170 0.81 ALDH1A1 (0.62) KDM4EHSD17B10LMNAALDH1A1NPC1
SCHEMBL16307902 0.80 CBFB (0.52) KDM4EHSD17B10LMNAALDH1A1NPC1

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-20220064150-A1 SUBSTITUTED REVERSE PYRIMIDINE BMI-1 INHIBITORS PTC THERAPEUTICS INC (US) 2022-03-03 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-20220064150-A1 SUBSTITUTED REVERSE PYRIMIDINE BMI-1 INHIBITORS BMI1, BRPF3, BAZ2A KDM4E 155/4885HSD17B10 3474/4885LMNA 3348/4885

“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.