SCHEMBL1603668

SCHEMBL1603668

CN1CCC(Cc2cc(-c3c[nH]c4ncccc34)nc(N)n2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 10/20 0.66
▸ CDC7 O00311 4/20 0.55
▸ DBF4 Q9UBU7 3/20 0.55
▸ CDK9 P50750 3/20 0.54
▸ CDK5 Q00535 2/20 0.54
▸ CDK7 P50613 2/20 0.54
▸ DYRK1A Q13627 2/20 0.54
▸ DYRK1B Q9Y463 2/20 0.54
▸ DAPK3 O43293 1/20 0.54
▸ PRKD3 O94806 1/20 0.54
▸ MAP4K4 O95819 1/20 0.54
▸ PAK4 O96013 1/20 0.54
▸ PIM1 P11309 1/20 0.54
▸ PRKACA P17612 1/20 0.54
▸ GRK5 P34947 1/20 0.54
▸ MAP2K2 P36507 1/20 0.54
▸ MAPK8 P45983 1/20 0.54
▸ CSNK1A1 P48729 1/20 0.54
▸ CDK8 P49336 1/20 0.54
▸ CLK2 P49760 1/20 0.54

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
SCHEMBL12707210 0.90 PDPK1 (0.67) PDPK1CDC7DBF4CDK9CDK5
SCHEMBL1604057 0.87 PDPK1 (0.66) PDPK1CDC7DBF4CDK9CDK5
SCHEMBL1456041 0.84 PDPK1 (0.70) PDPK1CDC7DBF4CDK9CDK5
SCHEMBL12707224 0.82 PDPK1 (0.71) PDPK1CDC7DBF4CDK9CDK5
SCHEMBL1603523 0.80 PDPK1 (1.00) PDPK1CDC7CDK9CDK5CDK7
SCHEMBL1604217 0.79 PDPK1 (1.00) PDPK1CDC7CDK9CDK5CDK7
SCHEMBL1603905 0.79 PDPK1 (0.80) PDPK1CDC7DBF4CDK9CDK5
SCHEMBL1603904 0.78 PDPK1 (0.72) PDPK1CDC7DBF4CDK9CDK5
SCHEMBL1604071 0.78 PDPK1 (0.78) PDPK1CDC7DBF4CDK9CDK5
SCHEMBL1455969 0.77 PDPK1 (0.66) PDPK1CDC7DBF4CDK9CDK5

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
EP-2155745-B1 6-(pyrrolopyridinyl)-pyrimidine-2-yl-amine derivatives and their use for the treatment of cancers and aids MERCK PATENT GMBH (DE) 2015-01-28 — — EP claimed
US-8546390-B2 6-(pyrrolopyridinyl) pyrimidin-2-ylamine derivatives and the use thereof for the treatment of cancer and AIDS MERCK PATENT GMBH (DE) 2013-10-01 — — US claimed
US-20110082140-A1 6-(PYRROLOPYRIDINYL) PYRIMIDIN-2-YLAMINE DERIVATIVES AND THE USE THEREOF FOR THE TREATMENT OF CANCER AND AIDS. MERCK PATENT GMBH (DE) 2011-04-07 — — US claimed
EP-2155745-B1 6-(pyrrolopyridinyl)-pyrimidine-2-yl-amine derivatives and their use for the treatment of cancers and aids MERCK PATENT GMBH (DE) 2015-01-28 — — EP disclosed
EP-2155745-B1 6-(pyrrolopyridinyl)-pyrimidine-2-yl-amine derivatives and their use for the treatment of cancers and aids MERCK PATENT GMBH (DE) 2015-01-28 — — EP disclosed
US-8546390-B2 6-(pyrrolopyridinyl) pyrimidin-2-ylamine derivatives and the use thereof for the treatment of cancer and AIDS MERCK PATENT GMBH (DE) 2013-10-01 — — US disclosed
US-8546390-B2 6-(pyrrolopyridinyl) pyrimidin-2-ylamine derivatives and the use thereof for the treatment of cancer and AIDS MERCK PATENT GMBH (DE) 2013-10-01 — — US disclosed
US-8546390-B2 6-(pyrrolopyridinyl) pyrimidin-2-ylamine derivatives and the use thereof for the treatment of cancer and AIDS MERCK PATENT GMBH (DE) 2013-10-01 — — US disclosed
US-20110082140-A1 6-(PYRROLOPYRIDINYL) PYRIMIDIN-2-YLAMINE DERIVATIVES AND THE USE THEREOF FOR THE TREATMENT OF CANCER AND AIDS. MERCK PATENT GMBH (DE) 2011-04-07 — — US disclosed
US-20110082140-A1 6-(PYRROLOPYRIDINYL) PYRIMIDIN-2-YLAMINE DERIVATIVES AND THE USE THEREOF FOR THE TREATMENT OF CANCER AND AIDS. MERCK PATENT GMBH (DE) 2011-04-07 — — US disclosed
US-20110082140-A1 6-(PYRROLOPYRIDINYL) PYRIMIDIN-2-YLAMINE DERIVATIVES AND THE USE THEREOF FOR THE TREATMENT OF CANCER AND AIDS. MERCK PATENT GMBH (DE) 2011-04-07 — — US disclosed
EP-2155745-A1 6-(PYRROLOPYRIDINYL)-PYRIMIDINE-2-YL-AMINE DERIVATIVES Merck Patent GmbH (DE) 2010-02-24 — — EP disclosed
WO-2008155000-A1 6-(PYRROLOPYRIDINYL)-PYRIMIDINE-2-YL-AMINE DERIVATIVES MERCK PATENT GMBH (DE) 2008-12-24 — — WO disclosed
WO-2008155000-A1 6-(PYRROLOPYRIDINYL)-PYRIMIDINE-2-YL-AMINE DERIVATIVES MERCK PATENT GMBH (DE) 2008-12-24 — — 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-20110082140-A1 6-(PYRROLOPYRIDINYL) PYRIMIDIN-2-YLAMINE DERIVATIVES AND THE USE THEREOF FOR THE TREATMENT OF CANCER AND AIDS. MKI67, TYMP, TK2 PDPK1 386/4885CDC7 161/4885DBF4 3272/4885

“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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