SCHEMBL3799077

SCHEMBL3799077

CCOc1ccc(F)cc1Nc1ncnc2scc(C)c12

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIP4K2C Q8TBX8 1/20 0.46
MRGPRX1 Q96LB2 1/20 0.46
MKNK2 Q9HBH9 13/20 0.43
THRB P10828 1/20 0.42
MKNK1 Q9BUB5 2/20 0.42
HTT P42858 2/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL3799922 0.92 MKNK2 (0.51) MKNK2MKNK1
SCHEMBL3797440 0.87 HTT (0.54) PIP4K2CMRGPRX1MKNK2MKNK1HTT
SCHEMBL3802230 0.83 MAPT (0.57) MKNK2MKNK1MEN1KMT2A
SCHEMBL3798885 0.81 MKNK2 (0.59) MKNK2MKNK1
SCHEMBL13170562 0.81 MKNK2 (0.50) PIP4K2CMKNK2MKNK1HTTRAB9A
SCHEMBL3803037 0.80 MKNK2 (0.63) MKNK2MKNK1
SCHEMBL3794771 0.79 MEN1 (0.57) HTTRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL3801697 0.79 MKNK2 (0.66) MKNK2MKNK1
SCHEMBL3802216 0.78 MKNK2 (0.49) PIP4K2CMKNK2MKNK1HTTRAB9A
SCHEMBL3796969 0.78 HTT (0.47) PIP4K2CMRGPRX1MKNK2HTTRAB9A

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 11 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-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 (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 PIP4K2C 499/4885MRGPRX1 3669/4885MKNK2 11/4885
US-20100143341-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DTYMK, CMPK1, PDXK PIP4K2C 138/4885MRGPRX1 3108/4885MKNK2 21/4885

“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.