SCHEMBL86869

SCHEMBL86869

[C-]#[N+]COc1ccc2c(c1)C1=NCCN1C(NC(=O)c1cccnc1)=N2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 1/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.37
KMT2A Q03164 2/20 0.36
TSHR P16473 2/20 0.36
GAA P10253 1/20 0.36
POLB P06746 1/20 0.36
HDAC1 Q13547 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
KDR P35968 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL93108 0.86 CYP3A4 (0.39) MAPTKDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL86814 0.86 TSHR (0.51) MAPTKDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL86981 0.82 HDAC1 (0.41) MAPTKDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL87090 0.81 RAB9A (0.40) MAPTKDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL86858 0.81 MAPT (0.43) MAPTKDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL86585 0.81 TDP1 (0.46) MAPTKDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL86916 0.81 HDAC1 (0.44) MAPTKDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL86644 0.81 GAA (0.47) MAPTRAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL86934 0.81 MEN1 (0.48) MAPTRAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL86672 0.80 KMT2A (0.40) MAPTKDM4ERAB9ASMN1; SMN2NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129386-B2 Fused azole-pyrimidine derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-06 US disclosed
US-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER PHARMACEUTICALS CORPORATION (US) 2009-10-29 US disclosed
US-7511041-B2 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2009-03-31 US 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-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES PIK3CA, PIK3CD, PIK3R5 MAPT 2333/4885KDM4E 3603/4885RAB9A 1543/4885

“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.