SCHEMBL13051148

SCHEMBL13051148

Nc1nc(-c2cc(Cl)ccc2F)cc(-c2c[nH]c3cnccc23)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 11/20 0.57
GSK3B P49841 6/20 0.57
NFATC1 O95644 5/20 0.57
MAP3K14 Q99558 2/20 0.49
TGFBR1 P36897 4/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
DYRK1B Q9Y463 2/20 0.45
CDK2 P24941 2/20 0.45
PIM1 P11309 2/20 0.44
HASPIN Q8TF76 1/20 0.44
CDK9 P50750 2/20 0.43
CDC7 O00311 1/20 0.43
DAPK3 O43293 1/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
PAK4 O96013 1/20 0.43
PRKACA P17612 1/20 0.43
GRK5 P34947 1/20 0.43
MAP2K2 P36507 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
SCHEMBL13051144 0.86 DYRK1A (0.60) DYRK1AGSK3BNFATC1MAP3K14TGFBR1
SCHEMBL13051145 0.84 DYRK1A (0.57) DYRK1AGSK3BNFATC1MAP3K14TGFBR1
SCHEMBL13051149 0.83 DYRK1A (0.56) DYRK1AGSK3BNFATC1MAP3K14TGFBR1
SCHEMBL3657990 0.81 DYRK1A (0.60) DYRK1AGSK3BNFATC1MAP3K14DYRK1B
SCHEMBL13051147 0.81 DYRK1A (0.60) DYRK1AGSK3BNFATC1MAP3K14TGFBR1
SCHEMBL13051138 0.80 DYRK1A (0.65) DYRK1AGSK3BNFATC1MAP3K14TGFBR1
SCHEMBL3378612 0.79 TGFBR1 (0.52) DYRK1AGSK3BNFATC1TGFBR1CYP1A2
SCHEMBL13051143 0.79 DYRK1A (0.57) DYRK1AGSK3BNFATC1MAP3K14TGFBR1
SCHEMBL13051111 0.78 DYRK1A (0.62) DYRK1AGSK3BNFATC1MAP3K14TGFBR1
SCHEMBL13051139 0.77 DYRK1A (0.64) DYRK1AGSK3BNFATC1MAP3K14TGFBR1

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.