SCHEMBL1913629

SCHEMBL1913629

CC(O)(c1cccc(F)c1)c1cc(-c2c[nH]c3ncc(-c4cnn(C(C)(C)C)c4)cc23)nc(N)n1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 18/20 0.68
▸ CCNT1 O60563 2/20 0.49
▸ CCNA2 P20248 2/20 0.49
▸ CDK2 P24941 2/20 0.49
▸ CDK9 P50750 2/20 0.49

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
SCHEMBL1913530 0.91 PDPK1 (0.73) PDPK1
SCHEMBL12530652 0.85 PDPK1 (0.59) PDPK1CCNT1CCNA2CDK2CDK9
SCHEMBL1913585 0.84 PDPK1 (0.58) PDPK1CCNT1CCNA2CDK2CDK9
SCHEMBL13555217 0.84 PDPK1 (0.58) PDPK1CCNT1CCNA2CDK2CDK9
SCHEMBL12530970 0.82 PDPK1 (0.57) PDPK1
SCHEMBL1913550 0.82 PDPK1 (0.86) PDPK1
SCHEMBL1913685 0.81 PDPK1 (0.75) PDPK1
SCHEMBL13385920 0.81 PDPK1 (0.56) PDPK1CCNT1CCNA2CDK2CDK9
SCHEMBL1913556 0.81 PDPK1 (0.70) PDPK1
SCHEMBL1913645 0.81 PDPK1 (0.75) PDPK1

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 16 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
EP-2516431-A1 PYRROLOPYRIDINYL-PYRIMIDIN-2-YLAMINE DERIVATIVES Merck Patent GmbH (DE) 2012-10-31 — — EP claimed
US-20120270871-A1 PYRROLOPYRIDINYLPYRIMIDIN-2-YLAMINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-25 — — US claimed
WO-2011076316-A1 PYRROLOPYRIDINYL-PYRIMIDIN-2-YLAMINE DERIVATIVES MERCK PATENT GMBH (DE) 2011-06-30 — — WO 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
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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