SCHEMBL1279409

SCHEMBL1279409

Nc1nc2ccc(-c3cccc(C(=O)O)c3)nc2s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
LMNA P02545 1/20 0.45
KMO O15229 2/20 0.44
ASH1L Q9NR48 1/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
GAA P10253 2/20 0.42
POLB P06746 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
MITF O75030 1/20 0.42
MAPT P10636 1/20 0.42
RECQL P46063 1/20 0.42
GFER P55789 1/20 0.42
PAX8 Q06710 1/20 0.42

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
SCHEMBL172060 0.88 DHFR (0.47) SMN1; SMN2ASH1LNPC1RAB9AALDH1A1
SCHEMBL1279773 0.82 RAB9A (0.51) KDM4ESMN1; SMN2NFKB1NFKB2RELA
SCHEMBL1696310 0.79 MAP4K4 (0.50) KMOLIMK1ATRMAP4K4CSNK2A1
SCHEMBL3717238 0.76 PIK3CD (0.47) KDM4ELMNAALDH1A1HPGDMAPT
SCHEMBL1279239 0.76 DYRK1A (0.56) NPC1RAB9ACSNK2A1
SCHEMBL1279505 0.76 LCK (0.60) KDM4ELMNAALDH1A1HPGDMAPT
SCHEMBL3716975 0.74 PIK3CD (0.57) KDM4ESMN1; SMN2NFKB1NFKB2RELA
SCHEMBL3855727 0.74 ALDH1A1 (0.69) KDM4ESMN1; SMN2NFKB1NFKB2RELA
SCHEMBL30526647 0.73 MKNK1 (0.43) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL15587238 0.72 MAP4K4 (0.74) MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505784-B2 Fused 2-aminothiazole compounds DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-11-29 US disclosed
US-20150094315-A1 FUSED 2-AMINOTHIAZOLE COMPOUNDS DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-04-02 US disclosed
US-8765747-B2 Fused 2-aminothiazole compounds DANA-FARBER CANCER INSTITUTE, INC. (US) 2014-07-01 US disclosed
CN-102480966-A Fused heterocyclic compounds and uses thereof NOVARTIS AG 2012-05-30 CN disclosed
EP-2440058-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USES Dana-Farber Cancer Institute, Inc. (US) 2012-04-18 EP disclosed
US-20120088766-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USES DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-04-12 US disclosed
WO-2010144909-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-12-16 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 (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-20120088766-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USES OAT, OTC, DLD KDM4E 4570/4885SMN1; SMN2 483/4885NFKB1 630/4885
US-20150094315-A1 FUSED 2-AMINOTHIAZOLE COMPOUNDS GOT2, OAT, ABAT KDM4E 3923/4885SMN1; SMN2 198/4885NFKB1 567/4885

“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.