SCHEMBL249912

SCHEMBL249912

N#Cc1ccc(N2CCOCC2)c(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.51
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 1/20 0.47
PDE3B Q13370 2/20 0.46
PDE3A Q14432 2/20 0.46
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SLC6A9 P48067 2/20 0.44
SLC6A5 Q9Y345 2/20 0.44
THRB P10828 2/20 0.44
DPP4 P27487 1/20 0.44
MAPK1 P28482 1/20 0.43
AKR1C3 P42330 1/20 0.43
AR P10275 1/20 0.43
HSD11B1 P28845 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL3532873 0.86 NOTUM (0.48) NOTUMKDM4EALDH1A1LMNAHPGD
SCHEMBL1963730 0.85 DPP4 (0.56) KDM4EALDH1A1SMN1; SMN2PDE3BPDE3A
SCHEMBL15122274 0.85 NOTUM (0.51) NOTUMKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL10953569 0.85 NOTUM (0.51) NOTUMKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL250177 0.85 NOTUM (0.47) NOTUMSLC6A9DPP4ARHSD11B1
SCHEMBL20830204 0.84 DRD2 (0.49) ALDH1A1DPP4HSD11B1TRPV4
SCHEMBL250297 0.82 CCNA2 (0.56) ALDH1A1PDE3BPDE3ADPP4HSD11B1
SCHEMBL249900 0.81 DPP4 (0.45) NOTUMKDM4EALDH1A1SMN1; SMN2PDE3B
SCHEMBL1968214 0.81 PDE3B (0.46) PDE3BPDE3ASLC6A9DPP4HSD11B1
SCHEMBL1239096 0.80 SLC6A9 (0.58) KDM4EALDH1A1LMNASMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020157201-A1 OXADIAZINONE COMPOUNDS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES BAYER AKTIENGESELLSCHAFT (DE) 2020-08-06 WO disclosed
WO-2020157201-A1 OXADIAZINONE COMPOUNDS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES BAYER AKTIENGESELLSCHAFT (DE) 2020-08-06 WO disclosed
EP-2528925-B1 THIENO[3,2-d]PYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY ON PROTEIN KINASES HANMI SCIENCE CO LTD (KR) 2017-07-05 EP disclosed
EP-2528925-B1 THIENO[3,2-d]PYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY ON PROTEIN KINASES HANMI SCIENCE CO LTD (KR) 2017-07-05 EP disclosed
EP-2193125-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-01-11 EP disclosed
EP-2193126-B1 OXADIAZOLE DIARYL COMPOUNDS MERCK SERONO SA (CH) 2015-06-24 EP disclosed
EP-2193126-B1 OXADIAZOLE DIARYL COMPOUNDS MERCK SERONO SA (CH) 2015-06-24 EP disclosed
US-8999973-B2 Thieno[3,2-d]pyrimidine derivatives having inhibitory activity on protein kinases HANMI SCIENCE CO., LTD (KR) 2015-04-07 US disclosed
US-8999973-B2 Thieno[3,2-d]pyrimidine derivatives having inhibitory activity on protein kinases HANMI SCIENCE CO., LTD (KR) 2015-04-07 US disclosed
CN-102725296-B Thieno[3,2-d]pyrimidine derivatives having inhibitory activity on protein kinases HANMI SCIENCE CO LTD (KR) 2015-04-01 CN disclosed
US-20080280876-A1 Novel oxadiazole compounds ABBVIE INC. 2008-11-13 US disclosed
US-20080280876-A1 Novel oxadiazole compounds ABBVIE INC. 2008-11-13 US disclosed
US-20080280876-A1 Novel oxadiazole compounds ABBVIE INC. 2008-11-13 US disclosed
CN-100404528-C Novel pyrimidinamine derivatives and use thereof NOVARTIS AG (CH) 2008-07-23 CN disclosed
WO-2008076356-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2008-06-26 WO disclosed
EP-1546127-B1 NOVEL PYRIMIDINEAMIDE DERIVATIVES AND THE USE THEREOF NOVARTIS AG (CH) 2007-08-08 EP disclosed
US-20060142577-A1 Novel pyrimidineamide derivatives and the use thereof NOVARTIS AG (CH) 2006-06-29 US disclosed
CN-1684951-A Novel pyrimidinamine derivatives and use thereof NOVARTIS AG (CH) 2005-10-19 CN disclosed
EP-1546127-A1 NOVEL PYRIMIDINEAMIDE DERIVATIVES AND THE USE THEREOF Novartis AG (CH) 2005-06-29 EP disclosed
WO-2004029038-A1 NOVEL PYRIMIDINEAMIDE DERIVATIVES AND THE USE THEREOF NOVARTIS AG (CH) 2004-04-08 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-20060142577-A1 Novel pyrimidineamide derivatives and the use thereof TYMP, NME2, DPYD NOTUM 3726/4885KDM4E 2764/4885ALDH1A1 2875/4885
US-20080280876-A1 Novel oxadiazole compounds S1PR3, S1PR1, S1PR2 NOTUM 3420/4885KDM4E 3611/4885ALDH1A1 4044/4885

“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.