SCHEMBL2426203

SCHEMBL2426203

CCc1cc(-c2c[nH]c3ncc(C(N)C4CCNCC4)cc23)nc(N)n1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 19/20 0.61
▸ PIK3CA P42336 4/20 0.56
▸ PIK3CG P48736 1/20 0.56
▸ PIK3CD O00329 1/20 0.52
▸ CCNT1 O60563 1/20 0.41
▸ CCNA2 P20248 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ CDK9 P50750 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
SCHEMBL27806429 0.80 PDPK1 (0.62) PDPK1PIK3CAPIK3CGPIK3CD
SCHEMBL1456782 0.79 PDPK1 (0.61) PDPK1PIK3CAPIK3CGPIK3CD
SCHEMBL1456012 0.79 PDPK1 (0.61) PDPK1PIK3CAPIK3CGPIK3CD
SCHEMBL14001685 0.77 PDPK1 (0.78) PDPK1PIK3CAPIK3CG
SCHEMBL1457104 0.76 PDPK1 (1.00) PDPK1PIK3CAPIK3CGPIK3CD
SCHEMBL1604109 0.75 PDPK1 (1.00) PDPK1PIK3CAPIK3CG
SCHEMBL13541693 0.75 PDPK1 (0.74) PDPK1PIK3CAPIK3CG
SCHEMBL1604348 0.74 PDPK1 (0.70) PDPK1PIK3CAPIK3CGPIK3CD
SCHEMBL1456356 0.74 PDPK1 (0.60) PDPK1PIK3CAPIK3CGPIK3CD
SCHEMBL2426811 0.73 PDPK1 (0.90) PDPK1PIK3CAPIK3CGPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102056926-B Pyrrolopyridinylpyrimidin-2-ylamine derivatives MERCK PATENT GMBH 2013-10-16 — — CN claimed
US-8420820-B2 Pyrrolopyridinylpyrimidin-2-ylamine derivatives MERCK PATENT GMBH (DE) 2013-04-16 — — US claimed
US-20110218198-A1 Pyrrolopyridinylpyrimidin-2-ylamine derivatives MERCK PATENT GESELLSCHAFT (DE) 2011-09-08 — — US claimed
CN-102056926-B Pyrrolopyridinylpyrimidin-2-ylamine derivatives MERCK PATENT GMBH 2013-10-16 — — CN disclosed
US-8420820-B2 Pyrrolopyridinylpyrimidin-2-ylamine derivatives MERCK PATENT GMBH (DE) 2013-04-16 — — US disclosed
US-20110218198-A1 Pyrrolopyridinylpyrimidin-2-ylamine derivatives MERCK PATENT GESELLSCHAFT (DE) 2011-09-08 — — 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-20110218198-A1 Pyrrolopyridinylpyrimidin-2-ylamine derivatives MKI67, CCNT1, CCNI PDPK1 429/4885PIK3CA 2075/4885PIK3CG 3653/4885

“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.

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