SCHEMBL3577313

SCHEMBL3577313

Cc1ccsc1C(=O)Nc1cccc(C(=O)c2ccc3c(c2)NC(=O)C3=CNc2ccc(CCCC(=O)O)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.38
PARP1 P09874 1/20 0.38
AURKB Q96GD4 6/20 0.37
FLT3 P36888 4/20 0.37
NTRK1 P04629 1/20 0.37
KDR P35968 4/20 0.35
FLT4 P35916 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
NR1H4 Q96RI1 1/20 0.35
KIT P10721 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GRM1 Q13255 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TLK2 Q86UE8 1/20 0.34
RET P07949 1/20 0.34
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
NFKB1 P19838 1/20 0.33

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
SCHEMBL3577312 1.00 PKM (0.38) PKMPARP1AURKBFLT3NTRK1
SCHEMBL3582379 0.88 MEN1 (0.43) PKMAURKBFLT3NTRK1KDR
SCHEMBL3582381 0.88 MEN1 (0.43) PKMAURKBFLT3NTRK1KDR
SCHEMBL3575231 0.83 KDR (0.44) AURKBFLT3NTRK1KDRFLT4
SCHEMBL3575229 0.83 KDR (0.44) AURKBFLT3NTRK1KDRFLT4
SCHEMBL3575747 0.83 ALDH1A1 (0.43) AURKBNTRK1NPC1RAB9AMEN1
SCHEMBL3575748 0.83 ALDH1A1 (0.43) AURKBNTRK1NPC1RAB9AMEN1
SCHEMBL3580624 0.82 KDR (0.46) AURKBFLT3NTRK1KDRNR1H4
SCHEMBL3580625 0.82 KDR (0.46) AURKBFLT3NTRK1KDRNR1H4
SCHEMBL3576401 0.81 SMN1; SMN2 (0.41) PKMAURKBFLT3NTRK1KDR

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-7692005-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-04-06 US claimed
EP-1902025-A1 KINASE INHIBITORS Allergan, Inc. (US) 2008-03-26 EP claimed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US claimed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 WO claimed
US-7749530-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-07-06 US disclosed
WO-2010075197-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2010-07-01 WO disclosed
US-7692005-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-04-06 US disclosed
US-20090208557-A1 Kinase inhibitors ALLERGAN, INC. 2009-08-20 US disclosed
EP-1902025-A1 KINASE INHIBITORS Allergan, Inc. (US) 2008-03-26 EP disclosed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US disclosed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 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 (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-20090208557-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 PKM 576/4885PARP1 3108/4885AURKB 333/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 PKM 715/4885PARP1 2019/4885AURKB 117/4885

“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.