SCHEMBL4947370

SCHEMBL4947370

Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.56
TLR9 Q9NR96 2/20 0.56
ATM Q13315 2/20 0.56
MAPT P10636 8/20 0.46
MEN1 O00255 7/20 0.46
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 6/20 0.46
HSD17B10 Q99714 5/20 0.46
HPGD P15428 3/20 0.46
TP53 P04637 2/20 0.46
CASP1 P29466 2/20 0.46
APAF1 O14727 1/20 0.46
ALOX15 P16050 1/20 0.46
CASP7 P55210 1/20 0.46
HTR3A P46098 1/20 0.46
USP2 O75604 3/20 0.45
GLA P06280 1/20 0.45
THRB P10828 1/20 0.45
PKM P14618 1/20 0.45
TNNI3 P19429 1/20 0.45

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
SCHEMBL16081598 0.85 MAPT (0.53) KMT2ATLR9ATMMAPTMEN1
SCHEMBL5551222 0.82 HTR3A (0.47) KMT2ATLR9ATMMAPTMEN1
SCHEMBL29903456 0.81 KMT2A (0.67) KMT2ATLR9ATMMAPTMEN1
SCHEMBL5803173 0.81 KMT2A (0.67) KMT2ATLR9ATMMAPTMEN1
SCHEMBL13156573 0.80 MYC (0.48) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL13156555 0.79 MYC (0.59) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL29922808 0.78 KMT2A (0.67) KMT2ATLR9ATMMAPTMEN1
SCHEMBL3480837 0.78 KMT2A (0.67) KMT2ATLR9ATMMAPTMEN1
SCHEMBL4586206 0.78 KMT2A (0.67) KMT2ATLR9ATMMAPTMEN1
SCHEMBL732274 0.78 MAPT (0.56) KMT2AATMMAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140080824-A1 STRUCTURE-GUIDED IDENTIFICATION OF BINDING INTERACTIONS OF HUMAN LAMININ RECEPTOR PRECURSOR WITH LAMININ AND IDENTIFICATION OF COMPOUNDS THAT AFFECT BINDING NEW YORK UNIVERSITY (US) 2014-03-20 US disclosed
US-20140080824-A1 STRUCTURE-GUIDED IDENTIFICATION OF BINDING INTERACTIONS OF HUMAN LAMININ RECEPTOR PRECURSOR WITH LAMININ AND IDENTIFICATION OF COMPOUNDS THAT AFFECT BINDING NEW YORK UNIVERSITY (US) 2014-03-20 US disclosed
US-20140080824-A1 STRUCTURE-GUIDED IDENTIFICATION OF BINDING INTERACTIONS OF HUMAN LAMININ RECEPTOR PRECURSOR WITH LAMININ AND IDENTIFICATION OF COMPOUNDS THAT AFFECT BINDING NEW YORK UNIVERSITY (US) 2014-03-20 US disclosed
WO-2012054739-A2 STRUCTURE-GUIDED IDENTIFICATION OF BINDING INTERACTIONS OF HUMAN LAMININ RECEPTOR PRECURSOR WITH LAMININ AND IDENTIFICATION OF COMPOUNDS THAT AFFECT BINDING NEW YORK UNIVERSITY (US) 2012-04-26 WO disclosed
EP-0585873-B1 Method of preparing disazo pigments CLARIANT GMBH (DE) 1997-12-29 EP disclosed
US-5559216-A AZO COUPLING HOECHST AG (DE) 1996-09-24 US disclosed
US-5493011-A PIGMENTING HIGH MOLECULAR WEIGHT NATURAL OR SYNTHETIC ORGANIC MATERIALS HOECHST AG (DE) 1996-02-20 US disclosed
EP-0518909-B1 WATER-INSOLUBLE AZO DYES, THEIR MANUFACTURE AND USE HOECHST AG (DE) 1994-05-25 EP disclosed
EP-0585873-A1 Method of preparing disazo pigments HOECHST AKTIENGESELLSCHAFT (DE) 1994-03-09 EP disclosed
EP-0316649-B1 WATER INSOLUBLE AZO COLOURING AGENTS, THEIR PREPARATION AND USE HOECHST AKTIENGESELLSCHAFT (DE) 1992-07-22 EP disclosed
EP-0316649-A2 Water insoluble azo colouring agents, their preparation and use HOECHST AKTIENGESELLSCHAFT (DE) 1989-05-24 EP disclosed
US-4064127-A Trifluoromethyl dibenzo[a,c]phenazines as immune regulants ELI LILLY AND COMPANY (US) 1977-12-20 US disclosed
US-4024142-A 9-(TRIFLUOROMETHYL)ACENAPHTHO(1,2-B) QUINOXALINE ELI LILLY AND COMPANY (US) 1977-05-17 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-20140080824-A1 STRUCTURE-GUIDED IDENTIFICATION OF BINDING INTERACTIONS OF HUMAN LAMININ RECEPTOR PRECURSOR WITH LAMININ AND IDENTIFICATION OF COMPOUNDS THAT AFFECT BINDING LAMTOR3, L1CAM, AGER KMT2A 4403/4885TLR9 2057/4885ATM 3873/4885

“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.