SCHEMBL3572525

SCHEMBL3572525

NC(=O)c1cccc(C(=O)c2ccc3c(c2)NC(=O)C3=CNc2ccc(CN3CCCC3)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
CSF1R P07333 1/20 0.40
CXCR3 P49682 1/20 0.40
CHEK1 O14757 1/20 0.40
CASP1 P29466 1/20 0.39
CASP4 P49662 1/20 0.39
CASP5 P51878 1/20 0.39
RET P07949 1/20 0.39
OPRK1 P41145 2/20 0.38
AKT2 P31751 3/20 0.37
PDPK1 O15530 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
TRPV1 Q8NER1 2/20 0.37
ROCK2 O75116 1/20 0.37
PARP1 P09874 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL3572532 0.92 CSF1R (0.40) GAAHTTRAB9ACSF1RCASP1
SCHEMBL3567208 0.91 AKT2 (0.40) GAACHEK1OPRK1AKT2PDPK1
SCHEMBL3574878 0.88 PDPK1 (0.41) CHEK1OPRK1AKT2PDPK1PARP1
SCHEMBL3575048 0.88 PDPK1 (0.43) CHEK1AKT2PDPK1TNIKKMT2A
SCHEMBL3575063 0.87 PLAU (0.41) AKT2PDPK1
SCHEMBL3581709 0.86 AKT2 (0.40) AKT2PDPK1
SCHEMBL3572021 0.86 LTA4H (0.48) PARP1
SCHEMBL16466983 0.85 CYP2D6 (0.44) GAAHTTRAB9ACSF1RRET
SCHEMBL16466986 0.85 CYP2D6 (0.44) GAAHTTRAB9ACSF1RRET
SCHEMBL3582374 0.85 LTA4H (0.47) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7749530-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-07-06 US claimed
WO-2010075197-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2010-07-01 WO claimed
US-7692005-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-04-06 US claimed
US-20090208557-A1 Kinase inhibitors ALLERGAN, INC. 2009-08-20 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 GAA 1736/4885HTT 4564/4885RAB9A 2105/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 GAA 1455/4885HTT 3607/4885RAB9A 2799/4885

“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.