SCHEMBL10206293

SCHEMBL10206293

CC(=O)Nc1nc(-c2cccc(Cl)c2)c(N)s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.58
DYRK1A Q13627 1/20 0.50
FSCN1 Q16658 1/20 0.50
RORB Q92753 2/20 0.48
KDR P35968 1/20 0.47
LMNA P02545 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
RORC P51449 5/20 0.46
NR1I2 O75469 1/20 0.46
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
MEN1 O00255 2/20 0.44
MAPT P10636 1/20 0.44
PIK3CG P48736 1/20 0.44
CLK1 P49759 1/20 0.44
CFTR P13569 1/20 0.44
PIK3CA P42336 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 0.84 ALDH1A1 (0.62) DYRK1ALMNAKMT2AALDH1A1POLB
SCHEMBL6286096 0.81 ADORA3 (0.61) ABL1DYRK1AFSCN1RORBLMNA
SCHEMBL543635 0.76 POLB (0.51) DYRK1AFSCN1RORBHSP90AA1HSP90AB1
SCHEMBL10167010 0.75 EPHX2 (0.47) RORBLMNARORCKMT2AALDH1A1
SCHEMBL11964988 0.75 ADORA2A (0.48) RORBKMT2A
SCHEMBL544402 0.74 RORB (0.56) RORBALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL18387706 0.74 ABL1 (1.00) ABL1RORCKMT2AALDH1A1MEN1
SCHEMBL29419362 0.74 ABL1 (1.00) ABL1RORCKMT2AALDH1A1MEN1
SCHEMBL7108417 0.73 ABL1 (0.48) ABL1DYRK1ARORBKDRHSP90AA1
SCHEMBL24073767 0.72 ALDH1A1 (0.57) LMNAKMT2AALDH1A1POLBGAA

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 8 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
US-20070299052-A1 Inhibitors of IAP GENENTECH, INC. (US) 2007-12-27 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 ABL1 2762/4885DYRK1A 3227/4885FSCN1 4533/4885
US-20120202750-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC3 ABL1 2762/4885DYRK1A 3227/4885FSCN1 4533/4885
US-20100256115-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC3 ABL1 2762/4885DYRK1A 3227/4885FSCN1 4533/4885

“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.