SCHEMBL3801680

SCHEMBL3801680

COc1ccccc1Nc1ncnc2sccc12

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.71
KMT2A Q03164 6/20 0.71
TNF P01375 3/20 0.64
NOD1 Q9Y239 3/20 0.64
RAB9A P51151 5/20 0.62
NPC1 O15118 4/20 0.62
HTT P42858 2/20 0.56
EGFR P00533 2/20 0.54
KDM4E B2RXH2 3/20 0.51
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
GALR3 O60755 1/20 0.51
LMNA P02545 1/20 0.51
NR2F2 P24468 1/20 0.51
MAPK1 P28482 1/20 0.51
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL3797996 0.87 MAPK1 (0.63) MEN1KMT2ATNFNOD1RAB9A
SCHEMBL3803639 0.86 MEN1 (0.57) MEN1KMT2ATNFNOD1RAB9A
SCHEMBL3804162 0.86 MEN1 (0.57) MEN1KMT2ATNFNOD1RAB9A
SCHEMBL3794735 0.85 RAB9A (0.67) MEN1KMT2ATNFNOD1RAB9A
SCHEMBL3805590 0.85 MEN1 (0.76) MEN1KMT2ATNFNOD1RAB9A
SCHEMBL3795870 0.84 MEN1 (0.58) MEN1KMT2ATNFNOD1RAB9A
SCHEMBL5466877 0.84 MEN1 (0.84) MEN1KMT2ATNFNOD1RAB9A
SCHEMBL3800729 0.84 MEN1 (0.55) MEN1KMT2ATNFNOD1RAB9A
SCHEMBL3796398 0.84 MEN1 (0.55) MEN1KMT2ATNFNOD1RAB9A
SCHEMBL3801686 0.83 KMT2A (0.67) MEN1KMT2ATNFNOD1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100143341-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2010-06-10 US claimed
EP-1899353-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DeveloGen Aktiengesellschaft (DE) 2008-03-19 EP claimed
WO-2007059905-A9 THIENOPYRIMIDINES TREATING INFLAMMATORY DISEASES DEVELOGEN AG (DE) 2007-11-01 WO claimed
WO-2007059905-A2 THIENOPYRIMIDINES TREATING INFLAMMATORY DISEASES DEVELOGEN AKTIENGESELLSCHAFT (DE) 2007-05-31 WO claimed
WO-2006136402-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2006-12-28 WO claimed
US-20100143341-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2010-06-10 US disclosed
EP-1899353-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DeveloGen Aktiengesellschaft (DE) 2008-03-19 EP disclosed
WO-2007059905-A9 THIENOPYRIMIDINES TREATING INFLAMMATORY DISEASES DEVELOGEN AG (DE) 2007-11-01 WO disclosed
WO-2007059905-A2 THIENOPYRIMIDINES TREATING INFLAMMATORY DISEASES DEVELOGEN AKTIENGESELLSCHAFT (DE) 2007-05-31 WO disclosed
WO-2006136402-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2006-12-28 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-20100143341-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DTYMK, CMPK1, PDXK MEN1 1106/4885KMT2A 1016/4885TNF 4619/4885

“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.