SCHEMBL13051138

SCHEMBL13051138

Nc1nc(-c2ccncc2)cc(-c2c[nH]c3cnccc23)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 11/20 0.65
NFATC1 O95644 5/20 0.65
GSK3B P49841 5/20 0.65
PIM1 P11309 2/20 0.52
HASPIN Q8TF76 2/20 0.52
CDK2 P24941 3/20 0.51
DYRK1B Q9Y463 3/20 0.51
IMPDH2 P12268 2/20 0.49
PDPK1 O15530 2/20 0.48
TGFBR1 P36897 1/20 0.45
IKBKE Q14164 1/20 0.45
CLK1 P49759 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
MAP3K14 Q99558 1/20 0.44
IGF1R P08069 1/20 0.44
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL13051111 0.92 DYRK1A (0.62) DYRK1ANFATC1GSK3BPIM1HASPIN
SCHEMBL3657990 0.90 DYRK1A (0.60) DYRK1ANFATC1GSK3BPIM1HASPIN
SCHEMBL13051139 0.88 DYRK1A (0.64) DYRK1ANFATC1GSK3BPIM1HASPIN
SCHEMBL13051145 0.85 DYRK1A (0.57) DYRK1ANFATC1GSK3BPIM1HASPIN
SCHEMBL13051143 0.85 DYRK1A (0.57) DYRK1ANFATC1GSK3BPIM1HASPIN
SCHEMBL13051147 0.82 DYRK1A (0.60) DYRK1ANFATC1GSK3BPIM1HASPIN
SCHEMBL13051144 0.82 DYRK1A (0.60) DYRK1ANFATC1GSK3BPIM1HASPIN
SCHEMBL1586849 0.82 ADORA2A (0.51) DYRK1ANFATC1GSK3BPIM1HASPIN
SCHEMBL13051148 0.80 DYRK1A (0.57) DYRK1ANFATC1GSK3BPIM1HASPIN
SCHEMBL13051140 0.80 DYRK1A (0.57) DYRK1ANFATC1GSK3BPIM1HASPIN

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-20100292262-A1 4 (PYRROLO[2,3-C]PYRIDINE-3-YL)PYRIMIDIN-2-AMINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-11-18 US disclosed
US-20100292262-A1 4 (PYRROLO[2,3-C]PYRIDINE-3-YL)PYRIMIDIN-2-AMINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-11-18 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-20100292262-A1 4 (PYRROLO[2,3-C]PYRIDINE-3-YL)PYRIMIDIN-2-AMINE DERIVATIVES MKI67, CDK4, CCNT1 DYRK1A 2428/4885NFATC1 105/4885GSK3B 1642/4885

“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.