SCHEMBL5386508

SCHEMBL5386508

CCc1c(-c2ccc(N)cc2)ccc(N)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.38
CYP3A4 P08684 5/20 0.36
TDP1 Q9NUW8 5/20 0.36
ALDH1A1 P00352 4/20 0.36
TP53 P04637 1/20 0.36
PRKCZ Q05513 1/20 0.35
USP7 Q93009 4/20 0.34
TSHR P16473 4/20 0.33
ACHE P22303 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
PIK3CA P42336 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPK1 P28482 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
HSD17B10 Q99714 2/20 0.32
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL11129444 0.85 TDP1 (0.39) CYP3A4TDP1ALDH1A1TP53PRKCZ
SCHEMBL5388052 0.84 SKP2 (0.41) RPS6KA3CYP3A4TDP1ALDH1A1TP53
Methane SCHEMBL28624868 0.83 TDP1 (0.37) RPS6KA3CYP3A4TDP1ALDH1A1TP53
SCHEMBL5382796 0.80 SKP2 (0.40) CYP3A4TDP1ALDH1A1TP53PRKCZ
SCHEMBL5381204 0.79 USP7 (0.37) CYP3A4TDP1ALDH1A1TP53PRKCZ
SCHEMBL820321 0.78 RPS6KA3 (0.47) RPS6KA3CYP3A4TDP1ALDH1A1TP53
SCHEMBL5382005 0.77 ALDH1A1 (0.32) CYP3A4TDP1ALDH1A1TP53PRKCZ
SCHEMBL5437684 0.76 RPS6KA3 (0.46) RPS6KA3CYP3A4TDP1ALDH1A1TP53
SCHEMBL5437685 0.76 RPS6KA3 (0.46) RPS6KA3CYP3A4TDP1ALDH1A1TP53
Hydrochloric Acid SCHEMBL27683817 0.76 RPS6KA3 (0.46) RPS6KA3CYP3A4TDP1ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202359-B2 Azaoxa heterocyclic compound and method of preparing the same CHANG CHUN PLASTICS CO., LTD. (TW) 2007-04-10 US disclosed
US-20050085634-A1 Azaoxa heterocyclic compound and method of preparing the same CHANG CHUN PLASTICS CO., LTD. (TW) 2005-04-21 US disclosed
US-20040068084-A1 Azaoxa heterocyclic compound and method of preparing the same CHANG CHUN PLASTICS CO., LTD. (TW) 2004-04-08 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 (2 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-20040068084-A1 Azaoxa heterocyclic compound and method of preparing the same AOX1, KDM1A, BMI1 RPS6KA3 3109/4885CYP3A4 1456/4885TDP1 2646/4885
US-20050085634-A1 Azaoxa heterocyclic compound and method of preparing the same AOX1, KDM1A, BMI1 RPS6KA3 3202/4885CYP3A4 1249/4885TDP1 3195/4885

“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.