SCHEMBL1604236

SCHEMBL1604236

CCc1cc(-c2c[nH]c3ncc(-c4cn[nH]c4)cc23)nc(N)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 17/20 1.00
PIK3CA P42336 4/20 1.00
PIK3CG P48736 1/20 1.00
PIK3CD O00329 1/20 0.51
CCNT1 O60563 3/20 0.51
CCNA2 P20248 3/20 0.51
CDK2 P24941 3/20 0.51
CDK9 P50750 3/20 0.51

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
SCHEMBL2426803 0.87 PDPK1 (0.77) PDPK1PIK3CAPIK3CGPIK3CDCCNT1
SCHEMBL1604708 0.87 PDPK1 (1.00) PDPK1PIK3CAPIK3CGCCNT1CCNA2
SCHEMBL1603767 0.87 PDPK1 (1.00) PDPK1PIK3CAPIK3CGCCNT1CCNA2
SCHEMBL1604923 0.86 PDPK1 (1.00) PDPK1PIK3CAPIK3CGCCNT1CCNA2
SCHEMBL1456952 0.86 PDPK1 (0.75) PDPK1PIK3CAPIK3CGCCNT1CCNA2
SCHEMBL1603480 0.84 PDPK1 (0.79) PDPK1PIK3CAPIK3CGCCNT1CCNA2
SCHEMBL1456058 0.84 PDPK1 (0.79) PDPK1PIK3CAPIK3CGCCNT1CCNA2
SCHEMBL1603418 0.84 PDPK1 (1.00) PDPK1PIK3CAPIK3CGCCNT1CCNA2
SCHEMBL14001685 0.83 PDPK1 (0.78) PDPK1PIK3CAPIK3CG
SCHEMBL1604079 0.83 PDPK1 (1.00) PDPK1PIK3CAPIK3CGCCNT1CCNA2

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 12 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
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 386/4885PIK3CA 812/4885PIK3CG 1861/4885

“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.