SCHEMBL13051139

SCHEMBL13051139

Nc1nc(-c2cccnc2)cc(-c2c[nH]c3cnccc23)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 10/20 0.64
GSK3B P49841 5/20 0.64
NFATC1 O95644 4/20 0.61
PDPK1 O15530 2/20 0.52
CDK2 P24941 4/20 0.51
CDK9 P50750 2/20 0.51
CCNT1 O60563 1/20 0.51
CCNA2 P20248 1/20 0.51
PIM1 P11309 3/20 0.49
HASPIN Q8TF76 1/20 0.49
DYRK1B Q9Y463 4/20 0.48
TDO2 P48775 2/20 0.48
TGFBR1 P36897 1/20 0.48
IKBKE Q14164 1/20 0.48
PIM3 Q86V86 1/20 0.47
PIM2 Q9P1W9 1/20 0.47
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
PTK2 Q05397 1/20 0.46
CDK5 Q00535 2/20 0.45

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 0.91 DYRK1A (0.62) DYRK1AGSK3BNFATC1PDPK1CDK2
SCHEMBL13051138 0.88 DYRK1A (0.65) DYRK1AGSK3BNFATC1PDPK1CDK2
SCHEMBL13051143 0.87 DYRK1A (0.57) DYRK1AGSK3BNFATC1PDPK1CDK2
SCHEMBL13051145 0.87 DYRK1A (0.57) DYRK1AGSK3BNFATC1PDPK1CDK2
SCHEMBL3657990 0.84 DYRK1A (0.60) DYRK1AGSK3BNFATC1CDK2CDK9
SCHEMBL13051144 0.81 DYRK1A (0.60) DYRK1AGSK3BNFATC1PDPK1CDK2
SCHEMBL13051147 0.81 DYRK1A (0.60) DYRK1AGSK3BNFATC1PDPK1CDK2
SCHEMBL1586849 0.81 ADORA2A (0.51) DYRK1AGSK3BNFATC1PDPK1CDK2
SCHEMBL13051140 0.80 DYRK1A (0.57) DYRK1AGSK3BNFATC1PDPK1CDK2
SCHEMBL17179566 0.79 DYRK1A (1.00) DYRK1AGSK3BNFATC1PDPK1CDK2

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 3 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
WO-2009092431-A1 4-(PYRROLO[2,3-C]PYRIDINE-3-YL)-PYRIMIDINE-2-AMINE DERIVATIVES MERCK PATENT GMBH (DE) 2009-07-30 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 (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 2428/4885GSK3B 1642/4885NFATC1 105/4885

“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.