SCHEMBL3582824

SCHEMBL3582824

CC(=O)Nc1ccc(C(=O)c2ccc3c(c2)/C(=C\Nc2ccc(N4CCN(C)CC4)cc2)C(=O)N3)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.50
CSF1R P07333 1/20 0.46
LRRK2 Q5S007 2/20 0.45
GSK3B P49841 1/20 0.43
NPC1 O15118 7/20 0.42
RAB9A P51151 7/20 0.42
FLT3 P36888 1/20 0.42
PDPK1 O15530 1/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
RET P07949 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
POLB P06746 1/20 0.41
CDK1 P06493 1/20 0.41

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
SCHEMBL3582827 1.00 JAK3 (0.50) JAK3CSF1RLRRK2GSK3BNPC1
SCHEMBL4757425 0.93 JAK3 (0.47) JAK3CSF1RLRRK2GSK3BNPC1
SCHEMBL4757422 0.93 JAK3 (0.47) JAK3CSF1RLRRK2GSK3BNPC1
SCHEMBL3572137 0.93 CSF1R (0.52) JAK3CSF1RNPC1RAB9AFLT3
SCHEMBL3572136 0.93 CSF1R (0.52) JAK3CSF1RNPC1RAB9AFLT3
SCHEMBL3581679 0.91 JAK3 (0.48) JAK3CSF1RLRRK2GSK3BNPC1
SCHEMBL3581682 0.91 JAK3 (0.48) JAK3CSF1RLRRK2GSK3BNPC1
SCHEMBL3581952 0.90 CSF1R (0.43) JAK3CSF1RNPC1RAB9AFLT3
SCHEMBL3581951 0.90 CSF1R (0.43) JAK3CSF1RNPC1RAB9AFLT3
SCHEMBL4704567 0.87 CSF1R (0.47) JAK3CSF1RLRRK2GSK3BNPC1

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 9 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
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 83/4885CSF1R 776/4885LRRK2 848/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 JAK3 116/4885CSF1R 877/4885LRRK2 636/4885

“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.