SCHEMBL3708015

SCHEMBL3708015

CC(C)(C)OC(=O)NC1CCN(c2ccc(N)cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.52
MAP4K4 O95819 2/20 0.50
PIM1 P11309 1/20 0.50
PIM3 Q86V86 1/20 0.50
PIM2 Q9P1W9 1/20 0.50
SUV39H2 Q9H5I1 5/20 0.48
CKS1B P61024 1/20 0.47
SKP1 P63208 1/20 0.47
SKP2 Q13309 1/20 0.47
PDE10A Q9Y233 1/20 0.46
BTK Q06187 3/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
ACACB O00763 1/20 0.45
CYP2C9 P11712 1/20 0.45
HSD11B1 P28845 1/20 0.45

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
SCHEMBL16580814 0.94 MAP4K4 (0.57) CTSKMAP4K4PIM1PIM3PIM2
SCHEMBL20354373 0.94 MAP4K4 (0.57) CTSKMAP4K4PIM1PIM3PIM2
SCHEMBL20354371 0.94 MAP4K4 (0.57) CTSKMAP4K4PIM1PIM3PIM2
SCHEMBL3130708 0.92 CKS1B (0.52) CTSKMAP4K4PIM1PIM3PIM2
SCHEMBL22434715 0.90 CTSK (0.52) CTSKMAP4K4PIM1PIM3PIM2
SCHEMBL22434601 0.90 CTSK (0.52) CTSKMAP4K4PIM1PIM3PIM2
SCHEMBL16544562 0.89 KDM4D (0.52) CTSKMAP4K4PIM1PIM3PIM2
SCHEMBL12841264 0.89 SUV39H2 (0.52) CTSKPIM1PIM3PIM2SUV39H2
SCHEMBL30936771 0.89 CTSK (0.51) CTSKMAP4K4PIM1PIM3PIM2
SCHEMBL16434657 0.89 KDM4D (0.52) CTSKMAP4K4PIM1PIM3PIM2

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-10093624-B2 NAMPT and ROCK inhibitors ABBVIE INC. (US) 2018-10-09 US disclosed
US-9302989-B2 NAMPT and rock inhibitors ABBVIE INC. (US) 2016-04-05 US disclosed
US-20160031880-A1 Nampt and Rock Inhibitors ABBVIE INC. (US) 2016-02-04 US disclosed
EP-2640698-A1 NAMPT AND ROCK INHIBITORS AbbVie Inc. (US) 2013-09-25 EP disclosed
WO-2012067965-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-24 WO disclosed
US-20120122842-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-17 US disclosed
US-20070049600-A1 PTERIDINONES AS KINASE INHIBITORS WARNER-LAMBERT COMPANY 2007-03-01 US disclosed
US-7169778-B2 Pteridinones as kinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-01-30 US disclosed
EP-1409487-A1 PTERIDINONES AS KINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-04-21 EP disclosed
US-20030130286-A1 Pteridinones as kinase inhibitors DENNY WILLIAM ALEXANDER (NZ) 2003-07-10 US disclosed
WO-2001019825-A1 PTERIDINONES AS KINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-03-22 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 (5 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-10093624-B2 NAMPT and ROCK inhibitors NAMPT, NNMT, NADK CTSK 1870/4885MAP4K4 310/4885PIM1 2350/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 CTSK 1882/4885MAP4K4 1085/4885PIM1 4079/4885
US-20030130286-A1 Pteridinones as kinase inhibitors CCNI, CCNK, CDK2 CTSK 1840/4885MAP4K4 248/4885PIM1 695/4885
US-20070049600-A1 PTERIDINONES AS KINASE INHIBITORS CCNI, CCNK, CDK2 CTSK 2356/4885MAP4K4 227/4885PIM1 749/4885
US-20160031880-A1 Nampt and Rock Inhibitors NAMPT, NNMT, NME2 CTSK 1882/4885MAP4K4 1085/4885PIM1 4079/4885

“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.