SCHEMBL1913547

SCHEMBL1913547

CC[C@@](OCOC)(c1cccc(F)c1)c1cc(-c2c[nH]c3ncc(Br)cc23)nc(N)n1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 16/20 0.50
▸ CCNT1 O60563 4/20 0.42
▸ CCNA2 P20248 4/20 0.42
▸ CDK2 P24941 4/20 0.42
▸ CDK9 P50750 4/20 0.42
▸ PIK3CA P42336 1/20 0.40
▸ PIK3CG P48736 1/20 0.40

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
SCHEMBL1913448 1.00 PDPK1 (0.50) PDPK1CCNT1CCNA2CDK2CDK9
SCHEMBL1913619 1.00 PDPK1 (0.50) PDPK1CCNT1CCNA2CDK2CDK9
SCHEMBL1913606 0.89 PDPK1 (0.49) PDPK1CCNT1CCNA2CDK2CDK9
SCHEMBL1913605 0.89 PDPK1 (0.49) PDPK1CCNT1CCNA2CDK2CDK9
SCHEMBL1913609 0.87 PDPK1 (0.53) PDPK1CCNT1CCNA2CDK2CDK9
SCHEMBL1913542 0.81 PDPK1 (0.53) PDPK1CCNT1CCNA2CDK2CDK9
SCHEMBL1913414 0.81 PDPK1 (0.61) PDPK1
SCHEMBL12530664 0.79 PDPK1 (0.41) PDPK1CCNT1CCNA2CDK2CDK9
SCHEMBL15355421 0.78 PDPK1 (0.48) PDPK1CCNT1CCNA2CDK2CDK9
SCHEMBL1913548 0.77 PDPK1 (0.41) PDPK1CCNT1CCNA2CDK2CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516431-B1 PYRROLOPYRIDINYL-PYRIMIDIN-2-YLAMINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-04-15 — — EP claimed
US-8575163-B2 Pyrrolopyridinylpyrimidin-2-ylamine derivatives MERCK PATENT GMBH (DE) 2013-11-05 — — US claimed
US-20120270871-A1 PYRROLOPYRIDINYLPYRIMIDIN-2-YLAMINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-25 — — US claimed
EP-2516431-B1 PYRROLOPYRIDINYL-PYRIMIDIN-2-YLAMINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-04-15 — — EP disclosed
EP-2516431-B1 PYRROLOPYRIDINYL-PYRIMIDIN-2-YLAMINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-04-15 — — EP disclosed
US-8575163-B2 Pyrrolopyridinylpyrimidin-2-ylamine derivatives MERCK PATENT GMBH (DE) 2013-11-05 — — US disclosed
US-8575163-B2 Pyrrolopyridinylpyrimidin-2-ylamine derivatives MERCK PATENT GMBH (DE) 2013-11-05 — — US disclosed
US-8575163-B2 Pyrrolopyridinylpyrimidin-2-ylamine derivatives MERCK PATENT GMBH (DE) 2013-11-05 — — US disclosed
EP-2516431-A1 PYRROLOPYRIDINYL-PYRIMIDIN-2-YLAMINE DERIVATIVES Merck Patent GmbH (DE) 2012-10-31 — — EP disclosed
US-20120270871-A1 PYRROLOPYRIDINYLPYRIMIDIN-2-YLAMINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-25 — — US disclosed
US-20120270871-A1 PYRROLOPYRIDINYLPYRIMIDIN-2-YLAMINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-25 — — US disclosed
US-20120270871-A1 PYRROLOPYRIDINYLPYRIMIDIN-2-YLAMINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-25 — — US disclosed
WO-2011076316-A1 PYRROLOPYRIDINYL-PYRIMIDIN-2-YLAMINE DERIVATIVES MERCK PATENT GMBH (DE) 2011-06-30 — — 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-20120270871-A1 PYRROLOPYRIDINYLPYRIMIDIN-2-YLAMINE DERIVATIVES MKI67, CCNI, CCNT1 PDPK1 425/4885CCNT1 3/4885CCNA2 9/4885

“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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