SCHEMBL2401098

SCHEMBL2401098

CC(O)C#Cc1ccc(C(F)(F)F)cn1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.39
▸ POLB P06746 3/20 0.37
▸ PDE2A O00408 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ GCK P35557 1/20 0.34
▸ GCKR Q14397 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ LMNA P02545 2/20 0.33
▸ TRPV3 Q8NET8 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ XPO1 O14980 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ ACACB O00763 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL17039221 0.78 KMT2A (0.41) KMT2APOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL17036488 0.75 KMT2A (0.39) KMT2APOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL25067052 0.75 KMT2A (0.39) KMT2APOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL12784776 0.75 ALDH1A1 (0.35) KMT2AALDH1A1KDM4EACACBMEN1
SCHEMBL2077828 0.75 ALDH1A1 (0.35) KMT2AALDH1A1KDM4EACACBMEN1
SCHEMBL2401984 0.74 KMT2A (0.46) KMT2APOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL28722711 0.74 GABRP (0.44) PDE2AACACB
SCHEMBL25067054 0.73 KMT2A (0.38) KMT2APOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL14653779 0.70 KMT2A (0.44) KMT2APOLBPDE2ASMN1; SMN2ALDH1A1
SCHEMBL2553743 0.70 DGAT1 (0.50) KMT2ASMN1; SMN2ALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415380-B2 Pyridine and pyrimidine derivatives as MGLUR2 antagonists HOFFMANN-LA ROCHE INC. (US) 2013-04-09 — — US disclosed
US-20110263615-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS GATTI MCARTHUR SILVIA 2011-10-27 — — US disclosed
US-8012986-B2 Pyridine and pyrimidine derivatives as MGLUR2 antagonists HOFFMANN-LA ROCHE INC. (US) 2011-09-06 — — US disclosed
EP-2142527-B1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-12-29 — — EP disclosed
EP-2142527-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-01-13 — — EP disclosed
US-20080280924-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS HOFFMAN-LA ROCHE, INC. 2008-11-13 — — US disclosed
WO-2008119689-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-10-09 — — 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-20110263615-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS GRM2, GRIN2B, GRM1 KMT2A 1023/4885POLB 3329/4885PDE2A 881/4885
US-20080280924-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS GRM2, GRIN2B, GRM1 KMT2A 1023/4885POLB 3329/4885PDE2A 881/4885

“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.

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