SCHEMBL3063647

SCHEMBL3063647

CCOC(=O)c1c(N)c(C#N)cn1Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.67
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
TSHR P16473 3/20 0.47
F2RL3 Q96RI0 1/20 0.47
ALDH1A1 P00352 6/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 1/20 0.44
PKM P14618 1/20 0.43
PRMT1 Q99873 1/20 0.43

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
SCHEMBL3941669 0.88 KDM4E (0.51) KDM4ECRHBPCRHR2MEN1KMT2A
SCHEMBL2302918 0.83 CRHBP (0.62) KDM4ECRHBPCRHR2MEN1KMT2A
SCHEMBL14809436 0.81 KDM4E (0.52) KDM4ECRHBPCRHR2MEN1KMT2A
SCHEMBL14125069 0.81 CRHBP (0.57) KDM4ECRHBPCRHR2MEN1KMT2A
SCHEMBL4225208 0.79 MAPT (0.54) KDM4ECRHBPCRHR2MEN1KMT2A
SCHEMBL4218652 0.77 KDM4E (0.71) KDM4EKMT2AALDH1A1MAPTMAPK1
SCHEMBL4373094 0.77 KDM4E (0.64) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL27677805 0.76 CRHBP (0.56) KDM4ECRHBPCRHR2TSHRF2RL3
SCHEMBL8289271 0.74 KDM4E (0.52) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL8909794 0.74 CRHBP (0.54) KDM4ECRHBPCRHR2MEN1KMT2A

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-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
US-20090192138-A1 COMPOUNDS BAESCHLIN DANIEL KASPAR 2009-07-30 US disclosed
US-20090192138-A1 COMPOUNDS BAESCHLIN DANIEL KASPAR 2009-07-30 US disclosed
US-20090192138-A1 COMPOUNDS BAESCHLIN DANIEL KASPAR 2009-07-30 US disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 US disclosed
EP-1966215-A1 CONDENSED HETEROCYCLIC COMPOUNDS USEFUL AS DPP-IV INHIBITORS Novartis AG (CH) 2008-09-10 EP disclosed
WO-2007071738-A1 CONDENSED HETEROCYCLIC COMPOUNDS USEFUL AS DPP-IV INHIBITORS NOVARTIS AG (CH) 2007-06-28 WO disclosed
WO-2007071738-A1 CONDENSED HETEROCYCLIC COMPOUNDS USEFUL AS DPP-IV INHIBITORS NOVARTIS AG (CH) 2007-06-28 WO disclosed
WO-2004065389-A1 PYRROLOPYRIMIDINE DERIVATIVES USEFUL AS MODULATORS OF MULTIDRUG RESISTANCE XENOVA LIMITED (GB) 2004-08-05 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-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 KDM4E 4164/4885CRHBP 4199/4885CRHR2 4041/4885
US-20090192138-A1 COMPOUNDS DPP4, DPP3, DPP8 KDM4E 766/4885CRHBP 861/4885CRHR2 897/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 KDM4E 4164/4885CRHBP 4199/4885CRHR2 4041/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 KDM4E 4164/4885CRHBP 4199/4885CRHR2 4041/4885

“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.