SCHEMBL14704540

SCHEMBL14704540

c1ccc(CNc2nc(NCc3ccccc3)c3nc(-c4ccccc4)c(-c4ccccc4)nc3n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 1/20 0.51
▸ MAPT P10636 3/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ UBE2N P61088 1/20 0.50
▸ RCE1 Q9Y256 1/20 0.50
▸ NOS1 P29475 1/20 0.49
▸ NPC1 O15118 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ BCHE P06276 3/20 0.46
▸ ACHE P22303 3/20 0.46
▸ APP P05067 2/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ PDE5A O76074 1/20 0.44
▸ GBA1 P04062 1/20 0.44
▸ ATM Q13315 1/20 0.44

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
SCHEMBL14704531 0.83 NOS1 (0.44) RAD52MAPTKDM4ENPSR1KMT2A
SCHEMBL9350959 0.79 RAD52 (0.66) RAD52MAPTKDM4ENPSR1KMT2A
SCHEMBL6816554 0.77 NOS1 (0.50) MAPTKDM4EALDH1A1NOS1BCHE
SCHEMBL6819013 0.74 NOS1 (0.56) MAPTKDM4EKMT2AALDH1A1LMNA
SCHEMBL3298289 0.71 KCNH3 (0.73) RAD52MAPTKDM4ENPSR1KMT2A
SCHEMBL7242367 0.70 KMT2A (0.58) RAD52MAPTKDM4ENPSR1KMT2A
SCHEMBL12175837 0.68 RAD52 (1.00) RAD52MAPTKDM4ENPSR1KMT2A
SCHEMBL7939004 0.66 APP (0.68) RAD52MAPTKDM4ENPSR1KMT2A
SCHEMBL28693949 0.66 KMT2A (0.81) KDM4ENPSR1KMT2AALDH1A1ACHE
SCHEMBL28700972 0.66 CYP1A2 (0.50) MAPTKDM4EKMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11739053-B2 P62-ZZ chemical inhibitor ID4PHARMA, LLC (US) 2023-08-29 — — US disclosed
US-11739053-B2 P62-ZZ chemical inhibitor ID4PHARMA, LLC (US) 2023-08-29 — — US disclosed
US-20200031761-A1 P62-ZZ CHEMICAL INHIBITOR UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2020-01-30 — — US disclosed
US-9580382-B2 p62-ZZ chemical inhibitor ID4PHARMA, LLC (US) 2017-02-28 — — US disclosed
US-9580382-B2 p62-ZZ chemical inhibitor ID4PHARMA, LLC (US) 2017-02-28 — — US disclosed
US-20160031799-A1 P62-ZZ CHEMICAL INHIBITOR ID4PHARMA LLC (US) 2016-02-04 — — US disclosed
US-20160031799-A1 P62-ZZ CHEMICAL INHIBITOR ID4PHARMA LLC (US) 2016-02-04 — — US disclosed
US-20150175607-A1 P62-ZZ CHEMICAL INHIBITOR UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2015-06-25 — — US disclosed
US-20150175607-A1 P62-ZZ CHEMICAL INHIBITOR UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2015-06-25 — — US disclosed
WO-2013022919-A1 P62-ZZ CHEMICAL INHIBITOR UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2013-02-14 — — WO 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 (4 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-20200031761-A1 P62-ZZ CHEMICAL INHIBITOR SQSTM1, CTSZ, BECN1 RAD52 1983/4885MAPT 318/4885KDM4E 2114/4885
US-20160031799-A1 P62-ZZ CHEMICAL INHIBITOR SQSTM1, CTSZ, BECN1 RAD52 1983/4885MAPT 318/4885KDM4E 2114/4885
US-11739053-B2 P62-ZZ chemical inhibitor SQSTM1, CTSZ, BECN1 RAD52 1983/4885MAPT 318/4885KDM4E 2114/4885
US-20150175607-A1 P62-ZZ CHEMICAL INHIBITOR SQSTM1, CTSZ, BECN1 RAD52 1983/4885MAPT 318/4885KDM4E 2114/4885

“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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