SCHEMBL14770588

SCHEMBL14770588

c1cc(-c2cncc(-n3c4ccccc4c4ccccc43)c2)c2oc3c(-n4c5ccccc5c5ccccc54)cccc3c2c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DUSP3 P51452 1/20 0.33
ALOX5 P09917 1/20 0.33
ALDH1A1 P00352 1/20 0.31
PRKDC P78527 2/20 0.31
LRRK2 Q5S007 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
SCHEMBL17228757 0.85 KDM4E (0.41) KDM4EATML3MBTL1ALOX5ALDH1A1
SCHEMBL14770586 0.83 ALOX5 (0.39) KDM4EATML3MBTL1DUSP3ALOX5
SCHEMBL21583622 0.82 PRKDC (0.45) KDM4EDUSP3ALDH1A1PRKDC
SCHEMBL5028226 0.82 ALOX5 (0.41) KDM4EATML3MBTL1ALOX5ALDH1A1
SCHEMBL17805947 0.80 ALDH1A1 (0.41) KDM4EATML3MBTL1ALOX5ALDH1A1
SCHEMBL21397041 0.79 CYP11B2 (0.39) KDM4EATML3MBTL1DUSP3ALDH1A1
SCHEMBL5028253 0.79 KDM4E (0.45) KDM4EATML3MBTL1ALOX5ALDH1A1
SCHEMBL5030179 0.79 ALOX5 (0.36) KDM4EATML3MBTL1ALOX5ALDH1A1
SCHEMBL14770597 0.79 KDM4E (0.35) KDM4EATML3MBTL1DUSP3ALOX5
SCHEMBL14770585 0.78 ALOX5 (0.35) ALOX5PRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9604972-B2 Nitrogen-containing heteroaromatic ring compound IDEMITSU KOSAN CO., LTD. (JP) 2017-03-28 US disclosed
US-9604972-B2 Nitrogen-containing heteroaromatic ring compound IDEMITSU KOSAN CO., LTD. (JP) 2017-03-28 US disclosed
US-20130062597-A1 NITROGEN-CONTAINING HETEROAROMATIC RING COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2013-03-14 US disclosed
US-20130062597-A1 NITROGEN-CONTAINING HETEROAROMATIC RING COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2013-03-14 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-20130062597-A1 NITROGEN-CONTAINING HETEROAROMATIC RING COMPOUND TDO2, AHR, NOC2L KDM4E 1763/4885ATM 1105/4885L3MBTL1 3163/4885

“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.