SCHEMBL13051131

SCHEMBL13051131

CC(C)(C)OC(=O)n1cc(-c2ccnc(Cl)n2)c2ccncc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 3/20 0.42
▸ DYRK1B Q9Y463 3/20 0.41
▸ CDK2 P24941 2/20 0.41
▸ PIM1 P11309 1/20 0.40
▸ MARK3 P27448 1/20 0.40
▸ MAP4K2 Q12851 1/20 0.40
▸ CAMK2B Q13554 1/20 0.40
▸ PIM3 Q86V86 1/20 0.40
▸ PIM2 Q9P1W9 1/20 0.40
▸ AAK1 Q2M2I8 4/20 0.36
▸ HSP90AA1 P07900 1/20 0.35
▸ HSP90AB1 P08238 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ELANE P08246 1/20 0.33
▸ GPR119 Q8TDV5 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ TTK P33981 1/20 0.33
▸ DYRK3 O43781 1/20 0.33
▸ IGF1R P08069 1/20 0.33

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
SCHEMBL28553930 0.87 DYRK1A (0.48) DYRK1APIM1MARK3MAP4K2CAMK2B
SCHEMBL13772061 0.85 DYRK1A (0.42) DYRK1ADYRK1BCDK2PIM1PIM2
SCHEMBL3052846 0.82 AAK1 (0.38) DYRK1ACDK2PIM1MARK3MAP4K2
SCHEMBL27153842 0.81 CCNB2 (0.46) DYRK1AAAK1HSP90AA1HSP90AB1ELANE
SCHEMBL30847419 0.81 CCNB2 (0.46) DYRK1AAAK1HSP90AA1HSP90AB1ELANE
SCHEMBL3228084 0.75 L3MBTL1 (0.43) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL19100397 0.75 AAK1 (0.41) DYRK1APIM1MARK3MAP4K2CAMK2B
SCHEMBL31330259 0.74 PIM1 (0.40) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL2112349 0.74 PIM1 (0.40) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL31407790 0.74 PIM1 (0.40) PIM1MARK3MAP4K2CAMK2BPIM3

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 1 patent. 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

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 2428/4885DYRK1B 2410/4885CDK2 4/4885

“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.

Send feedback