SCHEMBL16014920

SCHEMBL16014920

COc1ccc(-n2nnc3cnc(NCCN4CCN(C)CC4)nc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK6 Q16659 11/20 0.56
▸ EIF2AK4 Q9P2K8 2/20 0.52
▸ PIM1 P11309 1/20 0.47
▸ TBK1 Q9UHD2 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ USP2 O75604 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ CLK4 Q9HAZ1 1/20 0.45
▸ GSK3A P49840 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ EGFR P00533 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CASP1 P29466 1/20 0.43

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
SCHEMBL16012693 0.94 MAPK6 (0.54) MAPK6EIF2AK4PIM1TBK1ALDH1A1
SCHEMBL16012838 0.87 MAPK6 (0.55) MAPK6EIF2AK4PIM1ALDH1A1HSD17B10
SCHEMBL16012384 0.82 MAPK6 (0.62) MAPK6EIF2AK4ALDH1A1USP2MAPK1
SCHEMBL18813105 0.81 MAPK6 (0.62) MAPK6EIF2AK4GSK3AGSK3B
SCHEMBL17435308 0.80 MAPK6 (0.65) MAPK6EIF2AK4GSK3AGSK3BMEN1
SCHEMBL16022028 0.80 MAPK6 (0.78) MAPK6EIF2AK4PIM1GSK3AGSK3B
SCHEMBL17446327 0.80 MAPK6 (0.55) MAPK6EIF2AK4PIM1ALDH1A1USP2
SCHEMBL16022090 0.80 MAPK6 (0.60) MAPK6EIF2AK4TBK1GSK3AGSK3B
SCHEMBL16014223 0.79 MAPK6 (0.59) MAPK6EIF2AK4PIM1ALDH1A1USP2
SCHEMBL16012186 0.78 MAPK6 (0.58) MAPK6EIF2AK4ALDH1A1USP2MAPK1

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-2964649-B1 TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER MERCK PATENT GMBH (DE) 2017-05-10 — — EP claimed
US-20160015712-A1 Triazolo[4,5-d]pyrimidine derivatives MERCK PATENT GMBH (DE) 2016-01-21 — — US claimed
EP-2964649-A1 TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER Merck Patent GmbH (DE) 2016-01-13 — — EP claimed
WO-2014135244-A1 TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER MERCK PATENT GMBH (DE) 2014-09-12 — — WO claimed
US-9855268-B2 Triazolo[4,5-d]pyrimidine derivatives MERCK PATENT GMBH (DE) 2018-01-02 — — US disclosed
US-9855268-B2 Triazolo[4,5-d]pyrimidine derivatives MERCK PATENT GMBH (DE) 2018-01-02 — — US disclosed
EP-2964649-B1 TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER MERCK PATENT GMBH (DE) 2017-05-10 — — EP disclosed
EP-2964649-B1 TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER MERCK PATENT GMBH (DE) 2017-05-10 — — EP disclosed
US-20160015712-A1 Triazolo[4,5-d]pyrimidine derivatives MERCK PATENT GMBH (DE) 2016-01-21 — — US disclosed
US-20160015712-A1 Triazolo[4,5-d]pyrimidine derivatives MERCK PATENT GMBH (DE) 2016-01-21 — — US disclosed
US-20160015712-A1 Triazolo[4,5-d]pyrimidine derivatives MERCK PATENT GMBH (DE) 2016-01-21 — — US disclosed
EP-2964649-A1 TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER Merck Patent GmbH (DE) 2016-01-13 — — EP disclosed
WO-2014135244-A1 TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER MERCK PATENT GMBH (DE) 2014-09-12 — — WO disclosed
WO-2014135244-A1 TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER MERCK PATENT GMBH (DE) 2014-09-12 — — 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-20160015712-A1 Triazolo[4,5-d]pyrimidine derivatives EIF2AK4, GCN1, GTF2I MAPK6 2535/4885EIF2AK4 1/4885PIM1 2601/4885

“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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