SCHEMBL3801090

SCHEMBL3801090

CCC(Oc1ccccc1Nc1ncnc2scc(C)c12)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PIP4K2C Q8TBX8 1/20 0.43
MRGPRX1 Q96LB2 1/20 0.42
LMNA P02545 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NOD2 Q9HC29 1/20 0.42
MAPT P10636 2/20 0.39
MKNK2 Q9HBH9 8/20 0.38
MKNK1 Q9BUB5 2/20 0.38
DYRK3 O43781 1/20 0.38
MAP4K4 O95819 1/20 0.38
EGFR P00533 1/20 0.38
PIM1 P11309 1/20 0.38
CLK2 P49760 1/20 0.38
IRAK1 P51617 1/20 0.38
CSNK2A1 P68400 1/20 0.38
MAP4K2 Q12851 1/20 0.38
DYRK1A Q13627 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
SCHEMBL3803617 0.89 RAB9A (0.45) RAB9AHTTSMN1; SMN2PIP4K2CMRGPRX1
SCHEMBL3802591 0.87 PIP4K2C (0.46) RAB9AHTTSMN1; SMN2PIP4K2CMRGPRX1
SCHEMBL3799987 0.87 PIP4K2C (0.47) RAB9AHTTSMN1; SMN2PIP4K2CMRGPRX1
SCHEMBL3804655 0.84 MRGPRX1 (0.49) RAB9AHTTSMN1; SMN2PIP4K2CMRGPRX1
SCHEMBL3797440 0.83 HTT (0.54) RAB9AHTTSMN1; SMN2PIP4K2CMRGPRX1
SCHEMBL3804696 0.83 MAPK1 (0.53) HTTSMN1; SMN2MRGPRX1LMNAMAPT
SCHEMBL3796872 0.83 RAB9A (0.47) RAB9AHTTSMN1; SMN2PIP4K2CMRGPRX1
SCHEMBL3796969 0.81 HTT (0.47) RAB9AHTTSMN1; SMN2PIP4K2CMRGPRX1
SCHEMBL3805579 0.81 MAPT (0.53) RAB9AHTTSMN1; SMN2PIP4K2CMRGPRX1
SCHEMBL3805747 0.81 MEN1 (0.51) RAB9AHTTSMN1; SMN2PIP4K2CMRGPRX1

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 RAB9A 3651/4885HTT 898/4885SMN1; SMN2 469/4885
US-20100143341-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DTYMK, CMPK1, PDXK RAB9A 2822/4885HTT 3454/4885SMN1; SMN2 671/4885

“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.