SCHEMBL2175274

SCHEMBL2175274

COc1ccc(-c2cc(Cl)nc(Cl)n2)cc1OC

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.72
KMT2A Q03164 2/20 0.72
L3MBTL1 Q9Y468 1/20 0.72
KDM4E B2RXH2 8/20 0.53
ALDH1A1 P00352 7/20 0.53
HPGD P15428 4/20 0.53
HSD17B10 Q99714 4/20 0.53
TSHR P16473 3/20 0.53
MAPK1 P28482 3/20 0.53
HTT P42858 2/20 0.53
USP2 O75604 1/20 0.53
ATM Q13315 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.49
MAPT P10636 3/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
ACACA Q13085 1/20 0.49
AGTR1 P30556 1/20 0.48
ADORA3 P0DMS8 2/20 0.47
PDE4A P27815 1/20 0.45

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
SCHEMBL21058420 0.86 MEN1 (0.55) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL21058771 0.86 MEN1 (0.55) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL4502579 0.85 KDM4E (0.68) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL10686590 0.85 MEN1 (0.57) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL12408679 0.85 MEN1 (0.70) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL6749872 0.84 HSP90AA1 (0.61) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL4489879 0.81 MEN1 (0.54) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL6504726 0.80 MEN1 (0.63) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL3451541 0.79 KDM4E (0.67) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL4504428 0.79 KMT2A (0.67) MEN1KMT2AL3MBTL1KDM4EALDH1A1

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-20130072477-A1 TREATMENT OF PARKINSON'S DISEASE AND ENHANCEMENT OF DOPAMINE SIGNAL USING PDE 10 INHIBITOR MITSUBISHI TANABE PHARMA COPORATION (JP) 2013-03-21 US disclosed
EP-2342191-B1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORP (JP) 2013-03-20 EP disclosed
US-8338420-B1 Treatment of Parkinson's disease and enhancement of dopamine signal using PDE 10 inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-12-25 US disclosed
EP-2342191-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE Mitsubishi Tanabe Pharma Corporation (JP) 2011-07-13 EP disclosed
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 US disclosed
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 US disclosed
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 US disclosed
WO-2010030027-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-18 WO disclosed
US-6911443-B2 Imidazopyrimidine derivatives and triazolopyrimidine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2005-06-28 US disclosed
EP-1278750-B1 IMIDAZOPYRIMIDINE DERIVATIVES AND TRIAZOLOPYRIMIDINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2004-08-04 EP disclosed
US-20040054179-A1 Imidazopyrimidine derivatives and triazolopyrimidine derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-03-18 US 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 (3 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-20040054179-A1 Imidazopyrimidine derivatives and triazolopyrimidine derivatives XRCC6, XRN2, HRH2 MEN1 3675/4885KMT2A 1132/4885L3MBTL1 1969/4885
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE PDE10A, PDE3A, PDE3B MEN1 1655/4885KMT2A 2102/4885L3MBTL1 4808/4885
US-20130072477-A1 TREATMENT OF PARKINSON'S DISEASE AND ENHANCEMENT OF DOPAMINE SIGNAL USING PDE 10 INHIBITOR PDE3A, PDE2A, PDE5A MEN1 4225/4885KMT2A 2937/4885L3MBTL1 4514/4885

“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.