SCHEMBL17334306

SCHEMBL17334306

O=C1NCCn2nc(-c3ccc(F)cc3)cc21

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.74
PARP1 P09874 6/20 0.45
PIM1 P11309 2/20 0.41
PIM2 Q9P1W9 1/20 0.41
PLAT P00750 1/20 0.40
MAPKAPK2 P49137 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
SCN9A Q15858 1/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
GSK3B P49841 2/20 0.38
RAD51 Q06609 1/20 0.38
GRM2 Q14416 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIPK2 Q9H2X6 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38

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
SCHEMBL20139681 0.85 CDC7 (0.78) CDC7PARP1PIM1PIM2ALDH1A1
SCHEMBL14188300 0.85 CDC7 (1.00) CDC7PIM1PIM2MAPKAPK2KDM5B
SCHEMBL4997095 0.85 CDC7 (0.54) CDC7PARP1PIM1PIM2MAPKAPK2
SCHEMBL26645506 0.85 CDC7 (0.72) CDC7PARP1PIM1PIM2MAPKAPK2
SCHEMBL16700065 0.85 CDC7 (0.64) CDC7PARP1PIM1PIM2MAPKAPK2
SCHEMBL26645568 0.82 CDC7 (0.61) CDC7PARP1PIM1PIM2ALDH1A1
SCHEMBL26645242 0.82 CDC7 (0.68) CDC7PARP1PIM1PIM2MAPKAPK2
SCHEMBL24276746 0.80 CDC7 (0.62) CDC7PARP1PIM1PIM2ALDH1A1
SCHEMBL14188432 0.79 CDC7 (0.61) CDC7PIM1PIM2MAPKAPK2KDM5B
SCHEMBL26645332 0.79 CDC7 (0.57) CDC7MAPKAPK2ALDH1A1GAANPC1

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 2 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-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 3807/4885PARP1 4551/4885PIM1 4804/4885

“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.