SCHEMBL17340778

SCHEMBL17340778

O=C1NCCn2nc(CBr)cc21

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.54
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
CYP1A2 P05177 2/20 0.33
GRM5 P41594 5/20 0.32
GRM3 Q14832 1/20 0.30

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
SCHEMBL28645562 0.84 CDC7 (0.54) CDC7ALDH1A1GAAPIM1PIM2
SCHEMBL16286093 0.84 CDC7 (0.54) CDC7ALDH1A1GAAPIM1PIM2
SCHEMBL24276957 0.78 CDC7 (0.58) CDC7ALDH1A1GAAPIM1PIM2
SCHEMBL30229272 0.78 CDC7 (0.48) CDC7ALDH1A1GAAPIM1PIM2
SCHEMBL16682680 0.78 CDC7 (0.51) CDC7ALDH1A1GAAPIM1PIM2
SCHEMBL30229287 0.77 CDC7 (0.47) CDC7ALDH1A1GAAPIM1PIM2
SCHEMBL21247869 0.77 CDC7 (0.47) CDC7ALDH1A1GAA
SCHEMBL28629559 0.77 CDC7 (0.47) CDC7ALDH1A1GAAPIM1PIM2
SCHEMBL9938009 0.76 CDC7 (0.46) CDC7PIM1PIM2CYP1A2GRM5
SCHEMBL17334343 0.75 CDC7 (0.48) CDC7

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-9676782-B2 Substituted pyrazolo[1,5-a]pyrazines as negative allosteric modulators of metabotropic glutamate receptor 3 VANDERBILT UNIVERSITY (US) 2017-06-13 US disclosed
US-9676782-B2 Substituted pyrazolo[1,5-a]pyrazines as negative allosteric modulators of metabotropic glutamate receptor 3 VANDERBILT UNIVERSITY (US) 2017-06-13 US disclosed
US-20150361081-A1 NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 3 VANDERBILT UNIVERSITY 2015-12-17 US disclosed
US-20150361081-A1 NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 3 VANDERBILT UNIVERSITY 2015-12-17 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 (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-20150361081-A1 NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 3 GRM3, GRM1, GRIN3A CDC7 3807/4885ALDH1A1 4735/4885GAA 3823/4885

“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.