SCHEMBL2196629

SCHEMBL2196629

CN(C)C=CC(=O)c1ccc(C(=O)O)s1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.68
KMT2A Q03164 3/20 0.68
KDM4E B2RXH2 2/20 0.68
GAA P10253 1/20 0.68
RECQL P46063 2/20 0.53
MAPT P10636 8/20 0.52
RAB9A P51151 7/20 0.52
NPC1 O15118 6/20 0.52
SMN1; SMN2 Q16637 6/20 0.52
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
POLB P06746 4/20 0.47
HPGD P15428 2/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 1/20 0.46
ALOX12 P18054 1/20 0.46
DAO P14920 1/20 0.46
MEN1 O00255 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
HSP90AA1 P07900 1/20 0.44

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
SCHEMBL2196627 1.00 ALDH1A1 (0.68) ALDH1A1KMT2AKDM4EGAARECQL
SCHEMBL14007054 0.86 ALDH1A1 (0.68) ALDH1A1KMT2AKDM4EGAARECQL
SCHEMBL13992611 0.86 ALDH1A1 (0.68) ALDH1A1KMT2AKDM4EGAARECQL
SCHEMBL2984666 0.85 ALDH1A1 (0.62) ALDH1A1KMT2AKDM4EGAARECQL
SCHEMBL2984669 0.85 ALDH1A1 (0.62) ALDH1A1KMT2AKDM4EGAARECQL
SCHEMBL7476500 0.82 ALDH1A1 (0.68) ALDH1A1KMT2AKDM4EGAARECQL
SCHEMBL7476495 0.82 ALDH1A1 (0.68) ALDH1A1KMT2AKDM4EGAARECQL
SCHEMBL3516805 0.81 ALDH1A1 (1.00) ALDH1A1KMT2AKDM4EGAAMAPT
SCHEMBL3475869 0.81 ALDH1A1 (1.00) ALDH1A1KMT2AKDM4EGAARECQL
SCHEMBL12978870 0.81 ALDH1A1 (1.00) ALDH1A1KMT2AKDM4EGAARECQL

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 13 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-7977481-B2 Pyrimidinyl-thiophene kinase modulators SGX PHARMACEUTICALS, INC. (US) 2011-07-12 US disclosed
US-7858785-B2 Aminopyrimidine compounds and methods of use AMGEN INC. (US) 2010-12-28 US disclosed
US-20100305128-A1 Pyrimidinyl-Thiophene Kinase Modulators ARNOLD WILLIAM D 2010-12-02 US disclosed
US-7803806-B2 Pyrimidinyl-thiophene kinase modulators SGX PHARMACEUTICALS, INC. (US) 2010-09-28 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-1948647-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2008-07-30 EP 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
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-05-24 US disclosed
WO-2007053776-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-05-10 WO 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 (4 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-20100305128-A1 Pyrimidinyl-Thiophene Kinase Modulators MAP3K20, MAP3K6, MAP4K2 ALDH1A1 4186/4885KMT2A 1050/4885KDM4E 647/4885
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS MAP3K20, MAP3K6, MAP4K2 ALDH1A1 4186/4885KMT2A 1050/4885KDM4E 647/4885
US-20100010014-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE PLK1, TYMP, TK2 ALDH1A1 1565/4885KMT2A 1112/4885KDM4E 1956/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 ALDH1A1 1565/4885KMT2A 1112/4885KDM4E 1956/4885

“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.