SCHEMBL2980745

SCHEMBL2980745

CC1(C)C(=O)NC(=O)N1CCNc1nccc(-c2cc3cc(NC(=O)CCN4CCOCC4)ccc3s2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 1/20 0.44
MAPK1 P28482 1/20 0.44
TERT O14746 1/20 0.42
EIF2AK2 P19525 2/20 0.41
MAPK14 Q16539 2/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
IKBKB O14920 1/20 0.40
CHUK O15111 1/20 0.40
IKBKG Q9Y6K9 1/20 0.40
TSHR P16473 1/20 0.39
SYK P43405 2/20 0.39
ATM Q13315 1/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.37
PAK1 Q13153 3/20 0.37
LMNA P02545 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL2988559 0.94 MAPK1 (0.43) MAPK3MAPK1EIF2AK2MAPK14HTT
SCHEMBL2980603 0.94 IKBKB (0.46) TERTIKBKBCHUKIKBKG
SCHEMBL2989719 0.88 MAPK3 (0.38) MAPK3MAPK1EIF2AK2MAPK14IKBKB
SCHEMBL2974915 0.86 IKBKB (0.35) MAPK3MAPK1HPGDIKBKBCHUK
SCHEMBL2983663 0.86 IKBKB (0.39) MAPK3MAPK1IKBKBCHUKIKBKG
SCHEMBL2975834 0.85 SENP7 (0.38) MAPK3MAPK1ALOX15IKBKBCHUK
SCHEMBL27688653 0.85 IKBKB (0.40) MAPK3MAPK1TERTEIF2AK2MAPK14
SCHEMBL2976742 0.85 IKBKB (0.38) MAPK3MAPK1IKBKBCHUKIKBKG
SCHEMBL2982338 0.84 NPC1 (0.37) IKBKBCHUKIKBKGTSHRSYK
SCHEMBL3177282 0.84 IKBKB (0.41) MAPK3MAPK1IKBKBCHUKIKBKG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831207-B1 AMINOPYRIMIDINE COMPOUNDS AS PLK INHIBITORS AMGEN INC (US) 2012-11-14 EP disclosed
US-7858785-B2 Aminopyrimidine compounds and methods of use AMGEN INC. (US) 2010-12-28 US disclosed
US-7786132-B2 Aminopyrimidine compounds and methods of use AMGEN INC. (US) 2010-08-31 US disclosed
US-20100010014-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-01-14 US disclosed
EP-1831207-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-09-12 EP disclosed
US-20070185133-A1 Aminopyrimidine compounds and methods of use AMGEN, INC. (US) 2007-08-09 US disclosed
WO-2006066172-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2006-06-22 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 (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-20100010014-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE PLK1, TYMP, TK2 MAPK3 1361/4885MAPK1 1111/4885TERT 1178/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 MAPK3 1361/4885MAPK1 1111/4885TERT 1178/4885

“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.