SCHEMBL543635

SCHEMBL543635

CC(=O)Nc1nc(-c2ccccc2Cl)c(N)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
LIMK1 P53667 1/20 0.48
DYRK1A Q13627 2/20 0.47
ADORA1 P30542 1/20 0.47
RORC P51449 2/20 0.46
RORA P35398 1/20 0.46
RORB Q92753 1/20 0.46
MAPT P10636 2/20 0.45
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
CASP3 P42574 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SENP8 Q96LD8 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 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
SCHEMBL544732 0.80 ALDH1A1 (0.62) POLBDYRK1AADORA1MAPTALDH1A1
SCHEMBL13256303 0.78 LIMK1 (0.46) POLBLIMK1DYRK1AADORA1RORC
SCHEMBL10206293 0.76 ABL1 (0.58) POLBDYRK1ARORCRORBMAPT
SCHEMBL953980 0.76 PIK3C3 (0.46) KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL544511 0.76 EPHX2 (0.46) ALDH1A1KDM4ENPC1TP53PKM
SCHEMBL24107830 0.72 GSTO1 (0.70) RORCALDH1A1KDM4ENPC1PKM
SCHEMBL2143782 0.69 PI4KA (0.58) POLBLIMK1DYRK1AADORA1MAPT
SCHEMBL30754208 0.69 DYRK1A (0.71) DYRK1AADORA1MAPTALDH1A1KDM4E
SCHEMBL12692994 0.69 HTR6 (0.53) POLBALDH1A1HPGDHSP90AA1HSP90AB1
SCHEMBL24073767 0.69 ALDH1A1 (0.57) POLBADORA1MAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8980837-B2 Inhibitors of IAP GENENTECH, INC. (US) 2015-03-17 US disclosed
EP-1778718-B1 INHIBITORS OF IAP GENENTECH INC (US) 2014-10-08 EP disclosed
US-20120202750-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2012-08-09 US disclosed
US-8110568-B2 Inhibitors of IAP GENENTECH, INC. (US) 2012-02-07 US disclosed
US-20100256115-A1 INHIBITORS OF IAP COHEN FREDERICK 2010-10-07 US disclosed
US-20070299052-A1 Inhibitors of IAP GENENTECH, INC. (US) 2007-12-27 US disclosed
CN-101035802-A Inhibitors of IAP GENENTECH INC (US) 2007-09-12 CN disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 US disclosed
EP-1778718-A1 INHIBITORS OF IAP Genentech, Inc. (US) 2007-05-02 EP disclosed
WO-2006014361-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2006-02-09 WO disclosed
US-20060014700-A1 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2006-01-19 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 (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-20070299052-A1 Inhibitors of IAP XIAP, BIRC5, BIRC3 POLB 4407/4885LIMK1 2676/4885DYRK1A 3227/4885
US-20120202750-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC3 POLB 4407/4885LIMK1 2676/4885DYRK1A 3227/4885
US-20100256115-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC3 POLB 4407/4885LIMK1 2676/4885DYRK1A 3227/4885
US-20060014700-A1 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies BIRC5, BIRC2, XIAP POLB 4146/4885LIMK1 2461/4885DYRK1A 3233/4885

“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.