SCHEMBL3798672

SCHEMBL3798672

CC1CN(c2ccccc2Nc2ncnc3sccc23)CC(C)N1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.41
RAB9A P51151 4/20 0.41
MAP3K14 Q99558 1/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
PAK4 O96013 1/20 0.37
USP7 Q93009 1/20 0.37
RET P07949 2/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
PIP4K2A P48426 2/20 0.36
PIP4K2C Q8TBX8 1/20 0.36

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
SCHEMBL3801125 0.84 PIP4K2C (0.38) RAB9ASMN1; SMN2GAAPOLBLMNA
SCHEMBL3798568 0.78 MEN1 (0.46) NPC1RAB9AMAPTMAPK1SMN1; SMN2
SCHEMBL3802928 0.75 RAB9A (0.51) NPC1RAB9AMAP3K14MAPTMAPK1
SCHEMBL3797489 0.74 RAB9A (0.50) NPC1RAB9AMAP3K14MAPTMAPK1
SCHEMBL3796864 0.73 NPC1 (0.66) NPC1RAB9AMAP3K14MAPTMAPK1
SCHEMBL4593626 0.71 LMNA (0.43) RAB9AMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL3803639 0.69 MEN1 (0.57) NPC1RAB9AMAPTMAPK1SMN1; SMN2
SCHEMBL31082592 0.69 CYP11B2 (0.43) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL1922893 0.69 GPR119 (0.55) NPC1RAB9AMAPTMAPK1SMN1; SMN2
SCHEMBL3799680 0.69 MEN1 (0.46) MEN1KMT2AGAA

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 9 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-20100247517-A1 USE OF MNK INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Boehringer Ingelheim Internationational GmbH (DE) 2010-09-30 US disclosed
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-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 (2 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-20100247517-A1 USE OF MNK INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE NEK9, TTBK1, NEK2 NPC1 2068/4885RAB9A 3651/4885MAP3K14 88/4885
US-20100143341-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DTYMK, CMPK1, PDXK NPC1 3088/4885RAB9A 2822/4885MAP3K14 120/4885

“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.