SCHEMBL23009237

SCHEMBL23009237

COc1ccc2nc(N)nc(C)c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.59
HTT P42858 1/20 0.59
HPGD P15428 9/20 0.56
ALDH1A1 P00352 9/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
HSD17B10 Q99714 6/20 0.53
CYP1A2 P05177 1/20 0.53
NUDT1 P36639 1/20 0.53
POLB P06746 2/20 0.53
NQO2 P16083 1/20 0.53
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
GAA P10253 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
TP53 P04637 2/20 0.52
MAPT P10636 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52

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
SCHEMBL21964140 0.86 MPO (0.60) KDM4EHTTHPGDALDH1A1KMT2A
SCHEMBL12501235 0.82 KDM4E (0.58) KDM4EHTTHPGDALDH1A1KMT2A
SCHEMBL15502284 0.81 NPC1 (0.51) KDM4EHTTHPGDALDH1A1HSD17B10
SCHEMBL12501234 0.79 KDM4E (0.55) KDM4EHTTHPGDALDH1A1KMT2A
SCHEMBL29538580 0.79 KDM4E (0.59) KDM4EHTTHPGDALDH1A1KMT2A
SCHEMBL2534998 0.79 KDM4E (0.55) KDM4EHTTHPGDALDH1A1KMT2A
SCHEMBL620402 0.79 KDM4E (0.56) KDM4EHTTHPGDALDH1A1KMT2A
SCHEMBL15450912 0.78 ALDH1A1 (0.60) KDM4EHPGDALDH1A1KMT2AMEN1
SCHEMBL19723014 0.78 ALDH1A1 (0.46) KDM4EHTTHPGDALDH1A1HSD17B10
SCHEMBL1876646 0.78 ADORA2A (0.51) KDM4EHTTALDH1A1NQO2NPC1

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-20210045387-A1 COMPOSITIONS AND METHODS TO INHIBIT ARTHROPOD HOST-SEEKING BEHAVIOR THE ROCKEFELLER UNIVERSITY (US) 2021-02-18 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-20210045387-A1 COMPOSITIONS AND METHODS TO INHIBIT ARTHROPOD HOST-SEEKING BEHAVIOR CHIA, CFH, C5 KDM4E 3506/4885HTT 1646/4885HPGD 3146/4885

“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.