SCHEMBL86634

SCHEMBL86634

c1ccc2c(c1)N=C(N1CCOCC1)N1CCN=C21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
DNMT1 P26358 1/20 0.44
RAD52 P43351 1/20 0.44
UHRF1 Q96T88 1/20 0.44
PTAFR P25105 10/20 0.42
HDAC4 P56524 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
TSHR P16473 1/20 0.39
AR P10275 1/20 0.39
SMARCA2 P51531 1/20 0.38
APAF1 O14727 1/20 0.38
NPC1 O15118 1/20 0.38
TDP2 O95551 1/20 0.38
NSD2 O96028 1/20 0.38
RAB9A P51151 1/20 0.38
GALK1 P51570 1/20 0.38
BLM P54132 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL86872 0.74 DNMT1 (0.53) DNMT1RAD52UHRF1PTAFRHDAC4
SCHEMBL7326935 0.73 DNMT1 (0.51) DNMT1RAD52UHRF1PTAFRHDAC4
Bromide SCHEMBL82425 0.73 DNMT1 (0.51) DNMT1RAD52UHRF1PTAFRHDAC4
SCHEMBL7326253 0.73 DNMT1 (0.51) DNMT1RAD52UHRF1PTAFRHDAC4
SCHEMBL86887 0.69 LGMN (0.47) ARNPC1RAB9A
Bromide SCHEMBL81705 0.69 LGMN (0.46) ARNPC1RAB9A
SCHEMBL86484 0.66 PIK3CB (0.44) DNMT1RAD52UHRF1PTAFRHDAC4
SCHEMBL86897 0.65 DNMT1 (0.42) MEN1KMT2ADNMT1RAD52UHRF1
SCHEMBL7336717 0.65 HDAC8 (0.51) KDM4EDNMT1RAD52UHRF1PTAFR
SCHEMBL86500 0.64 PTAFR (0.42) DNMT1RAD52UHRF1PTAFRHDAC4

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 MEN1 2685/4885KMT2A 4598/4885KDM4E 3603/4885

“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.