SCHEMBL12707482

SCHEMBL12707482

O=C(Nc1cccc(-c2c[nH]c3ncc(Cl)nc23)n1)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
CDC7 O00311 1/20 0.45
MAP4K4 O95819 1/20 0.45
CDK8 P49336 1/20 0.45
DYRK1A Q13627 1/20 0.45
MELK Q14680 1/20 0.45
MAPK14 Q16539 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
STK17A Q9UEE5 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
HTT P42858 1/20 0.44
GRM5 P41594 1/20 0.44
HSD17B10 Q99714 1/20 0.43
AAK1 Q2M2I8 2/20 0.42
KMT2A Q03164 4/20 0.41
PPARG P37231 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NR2E3 Q9Y5X4 1/20 0.41
NCOR2 Q9Y618 1/20 0.41

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
SCHEMBL12657532 0.90 KMT2A (0.49) CDC7MAP4K4CDK8DYRK1AMELK
SCHEMBL12657781 0.87 GRM5 (0.56) SMN1; SMN2GRM5KMT2AMEN1
SCHEMBL12657584 0.85 CNR2 (0.47) MAPK1CDC7MAP4K4CDK8DYRK1A
SCHEMBL8942516 0.83 SMN1; SMN2 (0.52) SMN1; SMN2CDC7MAP4K4CDK8DYRK1A
SCHEMBL12657594 0.79 BTK (0.42) MAPK1GRM5
SCHEMBL12657778 0.77 HPGD (0.43) SMN1; SMN2
SCHEMBL12707491 0.77 ROCK1 (0.43) SMN1; SMN2HSD17B10KMT2AMEN1
SCHEMBL12707496 0.76 MAPK1 (0.40) MAPK1
SCHEMBL935499 0.75 CDC7 (0.66) MAPK1SMN1; SMN2CDC7MAP4K4CDK8
SCHEMBL13180661 0.73 GRM5 (0.53) MAPK1GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130096302-A1 PYRROLOPYRAZINES AND PYRAZOLOPYRAZINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2013-04-18 US disclosed
US-20130096302-A1 PYRROLOPYRAZINES AND PYRAZOLOPYRAZINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2013-04-18 US disclosed
US-8372835-B2 Pyrrolopyrazines and pyrazolopyrazines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-12 US disclosed
US-8372835-B2 Pyrrolopyrazines and pyrazolopyrazines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-12 US disclosed
US-20110081364-A1 PYRROLOPYRAZINES AND PYRAZOLOPYRAZINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2011-04-07 US disclosed
US-20110081364-A1 PYRROLOPYRAZINES AND PYRAZOLOPYRAZINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2011-04-07 US disclosed
US-7795259-B2 Pyrrolopyrazines and pyrazolopyrazines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-14 US disclosed
US-7795259-B2 Pyrrolopyrazines and pyrazolopyrazines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-14 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-20130096302-A1 PYRROLOPYRAZINES AND PYRAZOLOPYRAZINES USEFUL AS INHIBITORS OF PROTEIN KINASES AURKC, AURKA, PLK1 MAPK1 390/4885SMN1; SMN2 2771/4885CDC7 71/4885
US-20110081364-A1 PYRROLOPYRAZINES AND PYRAZOLOPYRAZINES USEFUL AS INHIBITORS OF PROTEIN KINASES AURKC, AURKA, PLK1 MAPK1 390/4885SMN1; SMN2 2771/4885CDC7 71/4885

“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.