SCHEMBL15416779

SCHEMBL15416779

Nc1cccc(-c2ncc(-c3cn[nH]c3)cn2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.55
MAP4K4 O95819 4/20 0.53
METAP2 P50579 1/20 0.51
AKT1 P31749 1/20 0.49
AKT2 P31751 1/20 0.49
MAP3K5 Q99683 1/20 0.46
MEN1 O00255 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
ENPP2 Q13822 1/20 0.44
KIT P10721 1/20 0.43
ROCK2 O75116 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
NTRK1 P04629 1/20 0.42
ATAD2 Q6PL18 1/20 0.41

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
SCHEMBL980068 0.87 CHEK1 (0.59) CHEK1MAP4K4METAP2AKT1AKT2
SCHEMBL16416958 0.85 CHEK1 (0.58) CHEK1MAP4K4METAP2AKT1AKT2
SCHEMBL24270332 0.83 MAP4K4 (0.74) MAP4K4METAP2MEN1KDM4EALDH1A1
SCHEMBL15416345 0.81 METAP2 (0.51) CHEK1METAP2AKT1AKT2NPC1
SCHEMBL16727395 0.81 IDO1 (0.51) CHEK1METAP2AKT1AKT2MEN1
SCHEMBL13970438 0.78 MET (0.55)
SCHEMBL27783053 0.78 MEN1 (0.68) MAP4K4METAP2MEN1KDM4EALDH1A1
SCHEMBL21537534 0.77 MAP4K4 (0.59) MAP4K4METAP2MEN1KDM4EALDH1A1
SCHEMBL27812271 0.77 AKT1 (0.55) CHEK1AKT1AKT2MAP3K5ROCK2
SCHEMBL27783151 0.75 MEN1 (0.68) MAP4K4METAP2MEN1KDM4EALDH1A1

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-2872501-B1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING SA (CH) 2016-06-01 EP disclosed
EP-2872501-B1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING SA (CH) 2016-06-01 EP disclosed
US-9216991-B2 Pyrimidine pyrazolyl derivatives ARES TRADING S.A. (CH) 2015-12-22 US disclosed
US-9216991-B2 Pyrimidine pyrazolyl derivatives ARES TRADING S.A. (CH) 2015-12-22 US disclosed
US-9216991-B2 Pyrimidine pyrazolyl derivatives ARES TRADING S.A. (CH) 2015-12-22 US disclosed
US-20150141396-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING S.A. (CH) 2015-05-21 US disclosed
US-20150141396-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING S.A. (CH) 2015-05-21 US disclosed
US-20150141396-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING S.A. (CH) 2015-05-21 US disclosed
EP-2872501-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES Ares Trading S.A. (CH) 2015-05-20 EP disclosed
WO-2014008992-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING S.A. (CH) 2014-01-16 WO disclosed
WO-2014008992-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING S.A. (CH) 2014-01-16 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-20150141396-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES DPYD, TYMS, DHFR CHEK1 1877/4885MAP4K4 1419/4885METAP2 4050/4885

“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.