SCHEMBL8024390

SCHEMBL8024390

CC1c2cccn2CCN1C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
MITF O75030 1/20 0.42
KDM4E B2RXH2 6/20 0.41
MAPT P10636 6/20 0.41
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
SHMT2 P34897 1/20 0.39
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
ADRA2C P18825 1/20 0.36
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
GSK3B P49841 1/20 0.32
CDK9 P50750 1/20 0.32
DYRK1B Q9Y463 1/20 0.32

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
SCHEMBL12992724 0.76 KDM4E (0.37) MITFKDM4EMAPTALDH1A1MEN1
SCHEMBL11490697 0.74 MAPT (0.43) L3MBTL1MITFKDM4EMAPTALDH1A1
SCHEMBL13162094 0.74 ALDH1A1 (0.50) L3MBTL1KDM4EMAPTALDH1A1MEN1
SCHEMBL11493230 0.73 KDM4E (0.48) L3MBTL1MITFKDM4EMAPTALDH1A1
SCHEMBL11484417 0.73 MAPT (0.37) MITFKDM4EMAPTALDH1A1MEN1
SCHEMBL11490694 0.72 MITF (0.37) L3MBTL1MITFKDM4EMAPTALDH1A1
SCHEMBL16219055 0.70 SHMT2 (0.48) L3MBTL1MITFKDM4EMAPTALDH1A1
SCHEMBL26167129 0.67 ADRA2C (0.41) L3MBTL1MITFKDM4EMAPTALDH1A1
SCHEMBL929068 0.67 ALDH1A1 (0.59) L3MBTL1MITFKDM4EMAPTALDH1A1
SCHEMBL8027414 0.67 GAA (0.32) SMN1; SMN2GAA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4188389-A 1,2,3,4-Tetrahydropyrrolo(1,2-A)pyrazines AYERST MCKENNA & HARRISON, INC. (CA) 1980-02-12 US claimed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-20110195954-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-11 US disclosed
US-20110003820-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2011-01-06 US disclosed
US-20110003820-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2011-01-06 US disclosed
WO-2009095253-A1 6-HALO-PYRAZOLO[1, 5-A]PYRIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR (MGLUR) MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 WO disclosed
WO-2009095254-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 WO disclosed
US-7235538-B2 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2007-06-26 US disclosed
US-7235538-B2 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2007-06-26 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 (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-20110003820-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE GRM5, GRIK5, GRK5 L3MBTL1 4527/4885MITF 3702/4885KDM4E 1667/4885
US-20110195954-A1 NOVEL COMPOUNDS CALCRL, CALCR, CALCA L3MBTL1 4506/4885MITF 1113/4885KDM4E 4390/4885

“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.