SCHEMBL3800729

SCHEMBL3800729

CC(C)COc1ccccc1Nc1ncnc2sccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
TNF P01375 2/20 0.52
NOD1 Q9Y239 2/20 0.52
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.50
MAPK1 P28482 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.47
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
EGFR P00533 1/20 0.44
FADS1 O60427 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
MRGPRX1 Q96LB2 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
PIP4K2A P48426 1/20 0.44

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 0.86 MAPK1 (0.63) MEN1KMT2ATNFNOD1RAB9A
SCHEMBL3804162 0.85 MEN1 (0.57) MEN1KMT2ATNFNOD1RAB9A
SCHEMBL3803068 0.84 MEN1 (0.53) MEN1KMT2ATNFNOD1RAB9A
SCHEMBL3801680 0.84 MEN1 (0.71) MEN1KMT2ATNFNOD1RAB9A
SCHEMBL3796398 0.83 MEN1 (0.55) MEN1KMT2ATNFNOD1RAB9A
SCHEMBL3805747 0.82 MEN1 (0.51) MEN1KMT2ATNFNOD1RAB9A
SCHEMBL3805013 0.81 MEN1 (0.53) MEN1KMT2ATNFNOD1RAB9A
SCHEMBL3803639 0.81 MEN1 (0.57) MEN1KMT2ATNFNOD1RAB9A
SCHEMBL3795313 0.81 MEN1 (0.52) MEN1KMT2ATNFNOD1RAB9A
SCHEMBL3796872 0.79 RAB9A (0.47) RAB9AMAPK1SMN1; SMN2GAAALOX15

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.