SCHEMBL4917849

SCHEMBL4917849

O=Cc1cn(-c2ccccc2)nc1-c1cccs1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 13/20 0.70
ALDH1A1 P00352 12/20 0.70
MEN1 O00255 11/20 0.70
PTGS2 P35354 1/20 0.64
SMN1; SMN2 Q16637 7/20 0.62
RAB9A P51151 5/20 0.62
NPC1 O15118 4/20 0.62
MAPT P10636 10/20 0.60
KDM4E B2RXH2 10/20 0.60
POLB P06746 5/20 0.60
RAD52 P43351 1/20 0.60
TAAR1 Q96RJ0 1/20 0.60
HPGD P15428 4/20 0.60
HTT P42858 4/20 0.60
LMNA P02545 3/20 0.60
NPSR1 Q6W5P4 2/20 0.60
MAPK1 P28482 2/20 0.60
RECQL P46063 2/20 0.60
HSP90AA1 P07900 1/20 0.60
NTSR1 P30989 1/20 0.60

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
SCHEMBL20718851 0.88 PTGS2 (0.64) KMT2AALDH1A1MEN1PTGS2SMN1; SMN2
SCHEMBL12328695 0.86 ALDH1A1 (0.67) KMT2AALDH1A1MEN1SMN1; SMN2RAB9A
SCHEMBL28548693 0.83 ALDH1A1 (1.00) KMT2AALDH1A1MEN1SMN1; SMN2RAB9A
SCHEMBL14133039 0.82 KMT2A (0.68) KMT2AALDH1A1MEN1SMN1; SMN2RAB9A
SCHEMBL12297555 0.82 ALDH1A1 (0.66) KMT2AALDH1A1MEN1SMN1; SMN2RAB9A
SCHEMBL6685608 0.80 ALDH1A1 (0.80) KMT2AALDH1A1MEN1PTGS2SMN1; SMN2
SCHEMBL3447906 0.79 PTGS2 (1.00) KMT2AALDH1A1MEN1PTGS2SMN1; SMN2
SCHEMBL6678326 0.78 KMT2A (0.53) KMT2AALDH1A1MEN1SMN1; SMN2RAB9A
SCHEMBL15329787 0.78 PTGS2 (0.61) KMT2AALDH1A1MEN1PTGS2SMN1; SMN2
SCHEMBL6673810 0.78 MEN1 (0.56) KMT2AALDH1A1MEN1SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242933-B2 Heterocyclic compounds as positive modulators of metabotropic glutamate receptor 2 (mGlu2 receptor) AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-26 US disclosed
CN-101687790-A Heterocyclic compounds as positive modulators of metabotropic glutamate receptor 2(MGLU2 receptor) ABBOTT GMBH & CO KG 2010-03-31 CN disclosed
US-20080300260-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 receptor) ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2008-12-04 US disclosed
WO-2004043951-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS CAREX S.A. (FR) 2004-05-27 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 (1 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-20080300260-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 receptor) GRM2, GRIN2C, GRM1 KMT2A 595/4885ALDH1A1 3335/4885MEN1 4628/4885

“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.