SCHEMBL250023

SCHEMBL250023

COC(=O)c1ccc(CN(C)C)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.56
KDM4E B2RXH2 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MAPT P10636 4/20 0.45
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 3/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
NPC1 O15118 2/20 0.42
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA12 O43570 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL19876837 0.89 MAPK1 (0.57) MAPK1KDM4EL3MBTL1MAPTALDH1A1
SCHEMBL6351750 0.84 CA12 (0.47) MAPTALDH1A1RAB9ACA1CA2
SCHEMBL12412592 0.83 KMT2A (0.45) MAPK1KDM4EL3MBTL1MAPTALDH1A1
SCHEMBL204895 0.81 MAPK1 (0.61) MAPK1KDM4EL3MBTL1MAPTALDH1A1
SCHEMBL29695095 0.81 MAPK1 (0.61) MAPK1KDM4EL3MBTL1MAPTALDH1A1
SCHEMBL1441132 0.81 MAPK1 (0.61) MAPK1KDM4EL3MBTL1MAPTALDH1A1
SCHEMBL1713633 0.81 HCAR3 (0.55) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL880698 0.80 MAPK1 (0.59) MAPK1KDM4EL3MBTL1MAPTALDH1A1
SCHEMBL1439028 0.80 MAPK1 (0.59) MAPK1KDM4EL3MBTL1MAPTALDH1A1
SCHEMBL198840 0.80 MAPK1 (0.59) MAPK1KDM4EL3MBTL1MAPTALDH1A1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183263-B2 Heteroaryl substituted thiazoles ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-22 US disclosed
US-8183263-B2 Heteroaryl substituted thiazoles ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-22 US disclosed
US-8183263-B2 Heteroaryl substituted thiazoles ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-22 US disclosed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-20100256165-A1 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER HONGU MITSUYA 2010-10-07 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 US disclosed
WO-2006122011-A2 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2006-11-16 WO disclosed
US-20060135525-A1 Pyrazolopyrimidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2006-06-22 US disclosed
EP-1585481-A2 PYRAZOLOPYRIMIDINE COMPOUND AND PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 2005-10-19 EP disclosed
WO-2004064721-A2 A PYRAZOLOPYRIMIDINE COMPOUND AND A PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 2004-08-05 WO disclosed
US-20040127527-A1 Large conductance calcium-activated k channel opener MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-07-01 US disclosed
EP-1432690-A2 IMIDAZOLE, THIAZOLE AND OXAZOLE DERIVATIVES AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT AND/OR PREVENTION OF POLLAKIURIA OR URINARY INCONTINENCE Tanabe Seiyaku Co., Ltd. (JP) 2004-06-30 EP disclosed
WO-2002083111-A2 IMIDAZOLE, THIAZOLE AND OXAZOLE DERIVATIVES AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT AND/OR PREVENTION OF POLLAKIURIA OR URINARY INCONTINENCE TANABE SEIYAKU CO., LTD. (JP) 2002-10-24 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-20100256165-A1 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER KCNN3, KCNN2, KCNN1 MAPK1 1386/4885KDM4E 801/4885L3MBTL1 3792/4885
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE PIGS, CPT1A, SLC10A1 MAPK1 2390/4885KDM4E 2649/4885L3MBTL1 479/4885
US-20040127527-A1 Large conductance calcium-activated k channel opener KCNN1, KCNN4, KCNN3 MAPK1 1008/4885KDM4E 687/4885L3MBTL1 4076/4885
US-20060135525-A1 Pyrazolopyrimidine compound and a process for preparing the same KCNJ2, KCNN2, KCNH2 MAPK1 2180/4885KDM4E 688/4885L3MBTL1 3439/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 MAPK1 2390/4885KDM4E 2649/4885L3MBTL1 479/4885

“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.