SCHEMBL1604181

SCHEMBL1604181

Nc1nc(CCCN2CCOCC2)cc(-c2c[nH]c3ncccc23)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 10/20 0.68
▸ CDK9 P50750 4/20 0.53
▸ CDC7 O00311 4/20 0.53
▸ CDK5 Q00535 3/20 0.53
▸ DAPK3 O43293 2/20 0.53
▸ PRKD3 O94806 2/20 0.53
▸ MAP4K4 O95819 2/20 0.53
▸ PAK4 O96013 2/20 0.53
▸ PIM1 P11309 2/20 0.53
▸ PRKACA P17612 2/20 0.53
▸ CSNK1A1 P48729 2/20 0.53
▸ CLK2 P49760 2/20 0.53
▸ GSK3A P49840 2/20 0.53
▸ GSK3B P49841 2/20 0.53
▸ CDK7 P50613 2/20 0.53
▸ PRKX P51817 2/20 0.53
▸ MAP4K2 Q12851 2/20 0.53
▸ DYRK1A Q13627 2/20 0.53
▸ GRK5 P34947 1/20 0.53
▸ MAP2K2 P36507 1/20 0.53

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
SCHEMBL1455969 0.94 PDPK1 (0.66) PDPK1CDK9CDC7CDK5DAPK3
SCHEMBL1603904 0.91 PDPK1 (0.72) PDPK1CDK9CDC7CDK5DAPK3
SCHEMBL12707224 0.89 PDPK1 (0.71) PDPK1CDK9CDC7CDK5DAPK3
SCHEMBL1605027 0.89 PDPK1 (0.69) PDPK1CDK9CDC7CDK5DAPK3
SCHEMBL1456041 0.83 PDPK1 (0.70) PDPK1CDK9CDC7CDK5DAPK3
SCHEMBL1456489 0.82 PDPK1 (0.62) PDPK1CDK9CDC7CDK5DAPK3
SCHEMBL1603808 0.81 PDPK1 (1.00) PDPK1CDK9CDC7CDK5DAPK3
SCHEMBL1604041 0.80 PDPK1 (1.00) PDPK1CDK9CDC7CDK5DAPK3
SCHEMBL1603855 0.80 PDPK1 (0.81) PDPK1CDK9CDC7CDK5DAPK3
SCHEMBL1604145 0.80 PDPK1 (1.00) PDPK1CDK9CDC7CDK5DAPK3

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 11 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
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 386/4885CDK9 30/4885CDC7 161/4885

“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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