SCHEMBL1457288

SCHEMBL1457288

Nc1nc(CCC(=O)NCc2ccc(F)c(F)c2)cc(-c2c[nH]c3ncccc23)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 17/20 0.61
▸ CDK9 P50750 2/20 0.50
▸ CDK5 Q00535 2/20 0.50
▸ CDC7 O00311 2/20 0.50
▸ ROCK1 Q13464 2/20 0.50
▸ DAPK3 O43293 1/20 0.50
▸ PRKD3 O94806 1/20 0.50
▸ MAP4K4 O95819 1/20 0.50
▸ PAK4 O96013 1/20 0.50
▸ PIM1 P11309 1/20 0.50
▸ PRKACA P17612 1/20 0.50
▸ GRK5 P34947 1/20 0.50
▸ MAP2K2 P36507 1/20 0.50
▸ MAPK8 P45983 1/20 0.50
▸ CSNK1A1 P48729 1/20 0.50
▸ CDK8 P49336 1/20 0.50
▸ CLK2 P49760 1/20 0.50
▸ GSK3A P49840 1/20 0.50
▸ GSK3B P49841 1/20 0.50
▸ CDK7 P50613 1/20 0.50

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
SCHEMBL1603775 0.82 PDPK1 (0.72) PDPK1CDK9CDK5CDC7ROCK1
SCHEMBL28790629 0.81 PDPK1 (0.65) PDPK1CDK9CDK5CDC7ROCK1
SCHEMBL1456733 0.80 PDPK1 (0.64) PDPK1CDK9CDK5CDC7ROCK1
SCHEMBL1604736 0.78 PDPK1 (0.74) PDPK1CDK9CDK5CDC7ROCK1
SCHEMBL1603808 0.76 PDPK1 (1.00) PDPK1CDK9CDK5CDC7ROCK1
SCHEMBL1604071 0.76 PDPK1 (0.78) PDPK1CDK9CDK5CDC7ROCK1
SCHEMBL1603855 0.75 PDPK1 (0.81) PDPK1CDK9CDK5CDC7ROCK1
SCHEMBL1604145 0.75 PDPK1 (1.00) PDPK1CDK9CDK5CDC7ROCK1
SCHEMBL1604217 0.75 PDPK1 (1.00) PDPK1CDK9CDK5CDC7ROCK1
SCHEMBL1603905 0.75 PDPK1 (0.80) PDPK1CDK9CDK5CDC7ROCK1

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 14 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
JP-2011526260-A — — 2011-10-06 — — JP claimed
US-20110218198-A1 Pyrrolopyridinylpyrimidin-2-ylamine derivatives MERCK PATENT GESELLSCHAFT (DE) 2011-09-08 — — US claimed
EP-2291375-A1 PYRROLOPYRIDINYLPYRIMIDIN-2-YLAMINE DERIVATIVES Merck Patent GmbH (DE) 2011-03-09 — — EP claimed
WO-2010000364-A1 PYRROLOPYRIDINYLPYRIMIDIN-2-YLAMINE DERIVATIVES MERCK PATENT GMBH (DE) 2010-01-07 — — WO 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-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
US-20110218198-A1 Pyrrolopyridinylpyrimidin-2-ylamine derivatives MERCK PATENT GESELLSCHAFT (DE) 2011-09-08 — — US disclosed
EP-2291375-A1 PYRROLOPYRIDINYLPYRIMIDIN-2-YLAMINE DERIVATIVES Merck Patent GmbH (DE) 2011-03-09 — — EP disclosed
WO-2010000364-A1 PYRROLOPYRIDINYLPYRIMIDIN-2-YLAMINE DERIVATIVES MERCK PATENT GMBH (DE) 2010-01-07 — — WO disclosed
WO-2010000364-A1 PYRROLOPYRIDINYLPYRIMIDIN-2-YLAMINE DERIVATIVES MERCK PATENT GMBH (DE) 2010-01-07 — — 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-20110218198-A1 Pyrrolopyridinylpyrimidin-2-ylamine derivatives MKI67, CCNT1, CCNI PDPK1 429/4885CDK9 278/4885CDK5 88/4885

“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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