SCHEMBL3581682

SCHEMBL3581682

CC(=O)Nc1ccc(C(=O)c2ccc3c(c2)C(=CNc2ccc(N4CCOCC4)cc2)C(=O)N3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.48
LRRK2 Q5S007 2/20 0.46
LCK P06239 1/20 0.46
RET P07949 1/20 0.46
PDGFRA P16234 1/20 0.46
KDR P35968 1/20 0.46
ALK Q9UM73 1/20 0.46
CSF1R P07333 1/20 0.45
MAPT P10636 6/20 0.45
ATM Q13315 1/20 0.44
ALDH1A1 P00352 3/20 0.44
ALOX12 P18054 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPK1 P28482 2/20 0.44
ALOX15 P16050 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 2/20 0.44
RAB9A P51151 2/20 0.43
GSK3B P49841 1/20 0.43

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
SCHEMBL3581679 1.00 JAK3 (0.48) JAK3LRRK2LCKRETPDGFRA
SCHEMBL3571618 0.93 JAK3 (0.46) JAK3LRRK2LCKRETPDGFRA
SCHEMBL3571619 0.93 JAK3 (0.46) JAK3LRRK2LCKRETPDGFRA
SCHEMBL3573782 0.93 CSF1R (0.51) CSF1RMAPTATMALDH1A1ALOX12
SCHEMBL3573781 0.93 CSF1R (0.51) CSF1RMAPTATMALDH1A1ALOX12
SCHEMBL3582827 0.91 JAK3 (0.50) JAK3LRRK2LCKRETPDGFRA
SCHEMBL3582824 0.91 JAK3 (0.50) JAK3LRRK2LCKRETPDGFRA
SCHEMBL3580563 0.89 PDGFRB (0.43) RETCSF1RMAPTALDH1A1KDM4E
SCHEMBL3580559 0.89 PDGFRB (0.43) RETCSF1RMAPTALDH1A1KDM4E
SCHEMBL5430284 0.87 CSF1R (0.46) LRRK2LCKRETPDGFRAKDR

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
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 JAK3 83/4885LRRK2 848/4885LCK 18/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 JAK3 116/4885LRRK2 636/4885LCK 2/4885

“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.