SCHEMBL3573172

SCHEMBL3573172

O=C1Nc2cc(C(=O)c3cccc(NCc4ccccc4)c3)ccc2/C1=C/O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.45
TLK2 Q86UE8 2/20 0.41
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40
FFAR1 O14842 2/20 0.40
ROCK2 O75116 2/20 0.40
PRKCA P17252 2/20 0.40
GRK2 P25098 2/20 0.40
HDAC11 Q96DB2 1/20 0.40
GRK5 P34947 1/20 0.40
GRK3 P35626 1/20 0.40
GRK7 Q8WTQ7 1/20 0.40
RAF1 P04049 1/20 0.39
PDGFRB P09619 1/20 0.39
KIT P10721 1/20 0.39
FLT4 P35916 1/20 0.39
FLT3 P36888 1/20 0.39
VNN1 O95497 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL13256074 0.86 NTRK1 (0.39) NTRK1TLK2RAF1PDGFRBKIT
SCHEMBL3577292 0.81 NTRK3 (0.53) NTRK1PDGFRBKITFLT4FLT3
SCHEMBL3577289 0.81 NTRK3 (0.53) NTRK1PDGFRBKITFLT4FLT3
SCHEMBL3574416 0.80 KDR (0.35) NTRK1TLK2KITFLT4FLT3
SCHEMBL3574418 0.80 KDR (0.35) NTRK1TLK2KITFLT4FLT3
SCHEMBL4702560 0.79 CSF1R (0.43) NTRK1FLT3NPC1RAB9A
SCHEMBL5427717 0.79 CSF1R (0.43) NTRK1FLT3NPC1RAB9A
SCHEMBL3581916 0.79 CSF1R (0.43) NTRK1FLT3NPC1RAB9A
SCHEMBL3580637 0.77 PDPK1 (0.47) NTRK1TLK2RAF1
SCHEMBL3579599 0.77 KMT2A (0.53) NTRK1KDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20100137298-A1 Biaryl Sulfonamides and Methods for Using Same WYETH (US) 2010-06-03 US 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-1692124-B1 BIARYL SULFONAMIDES AS MMP INHIBITORS WYETH CORP (US) 2008-10-15 EP disclosed
US-7420001-B2 Biaryl sulfonamides and methods for using same WYETH (US) 2008-09-02 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
EP-1692124-A1 BIARYL SULFONAMIDES AS MMP INHIBITORS Wyeth (US) 2006-08-23 EP disclosed
WO-2005061477-A1 BIARYL SULFONAMIDES AS MMP INHIBITORS WYETH (US) 2005-07-07 WO disclosed
US-20050143422-A1 Biaryl sulfonamides and methods for using same WYETH (US) 2005-06-30 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-20100137298-A1 Biaryl Sulfonamides and Methods for Using Same STS, MMP3, AADAC NTRK1 4116/4885TLK2 3838/4885HDAC8 220/4885
US-20090208557-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 NTRK1 307/4885TLK2 304/4885HDAC8 1069/4885
US-20050143422-A1 Biaryl sulfonamides and methods for using same STS, MMP3, AADAC NTRK1 4116/4885TLK2 3838/4885HDAC8 220/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 NTRK1 413/4885TLK2 363/4885HDAC8 1759/4885

“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.