SCHEMBL3058844

SCHEMBL3058844

CNC(=O)c1ccc(Cl)nc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 1/20 0.44
CASP1 P29466 1/20 0.43
PLK1 P53350 2/20 0.42
EGFR P00533 4/20 0.41
GAA P10253 2/20 0.40
SMO Q99835 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
BRD4 O60885 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RAB9A P51151 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37

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
SCHEMBL14469060 0.83 EGFR (0.57) CASP1PLK1EGFRGAAKDM4E
SCHEMBL3060350 0.81 SCN10A (0.41) CASP1PLK1GAAKDM4EMAPT
SCHEMBL31604426 0.81 EGFR (0.43) CASP1PLK1EGFRGAAKMT2A
SCHEMBL18931089 0.81 GAA (0.46) CASP1PLK1EGFRGAAKDM4E
Dimethylamine SCHEMBL31596354 0.81 SMN1; SMN2 (0.44) SLC6A12CASP1EGFRGAAKMT2A
SCHEMBL21676262 0.80 TSHR (0.43) SLC6A12CASP1EGFRGAATUBB4A
SCHEMBL15647036 0.79 RAB9A (0.49) CASP1PLK1GAAMEN1KMT2A
Hydrochloric Acid SCHEMBL22367313 0.79 BRD4 (0.44) SLC6A12KDM4EBRD4SMN1; SMN2
SCHEMBL30436565 0.78 SMN1; SMN2 (0.40) SLC6A12EGFRSMOSMN1; SMN2TUBB4A
SCHEMBL3702546 0.78 SMN1; SMN2 (0.40) SLC6A12EGFRSMOSMN1; SMN2TUBB4A

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
WO-2018139876-A1 NOVEL [1,2,4]TRIAZOLO[4, 3-A]QUINOXALINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING BET PROTEIN-RELATED DISEASES, CONTAINING SAME AS ACTIVE INGREDIENT 동화약품주식회사 2018-08-02 WO disclosed
US-9902688-B2 Benzamides and nicotinamides as Syk modulators PORTOLA PHARMACEUTICALS, INC. (US) 2018-02-27 US disclosed
US-20160318852-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS ALEXION PHARMACEUTICALS, INC. 2016-11-03 US disclosed
US-9359375-B2 Benzamides and nicotinamides as Syk modulators PORTOLA PHARMACEUTICALS, INC. (US) 2016-06-07 US disclosed
US-20150038492-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-8846928-B2 Benzamides and nicotinamides as Syk modulators PORTOLA PHARMACEUTICALS, INC. (US) 2014-09-30 US disclosed
US-20120142671-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
US-20100222319-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-02 US disclosed
EP-2205566-A2 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-07-14 EP disclosed
WO-2009074749-A2 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-06-18 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-20120142671-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS SYK, BTK, NADK SLC6A12 3211/4885CASP1 563/4885PLK1 1082/4885
US-20160318852-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS SYK, BTK, NADK SLC6A12 3211/4885CASP1 563/4885PLK1 1082/4885
US-20150038492-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS SYK, BTK, NADK SLC6A12 3211/4885CASP1 563/4885PLK1 1082/4885
US-20100222319-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF NNT, NAMPT, NQO1 SLC6A12 837/4885CASP1 2483/4885PLK1 2855/4885

“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.