SCHEMBL3799156

SCHEMBL3799156

Cc1csc2ncnc(Nc3ccccc3OCCC(F)(F)F)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 8/20 0.52
MKNK1 Q9BUB5 1/20 0.46
MRGPRX1 Q96LB2 2/20 0.46
RAB9A P51151 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PIP4K2C Q8TBX8 1/20 0.43
LMNA P02545 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NOD2 Q9HC29 1/20 0.40
MAPT P10636 1/20 0.39
FGFR1 P11362 2/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
DYRK3 O43781 1/20 0.39
MAP4K4 O95819 1/20 0.39
EGFR P00533 1/20 0.39
PIM1 P11309 1/20 0.39
CLK2 P49760 1/20 0.39
IRAK1 P51617 1/20 0.39
CSNK2A1 P68400 1/20 0.39

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
SCHEMBL3801697 0.89 MKNK2 (0.66) MKNK2MKNK1
SCHEMBL3796969 0.87 HTT (0.47) MKNK2MRGPRX1RAB9AHTTSMN1; SMN2
SCHEMBL3799585 0.86 RAB9A (0.47) MKNK2MRGPRX1RAB9AHTTSMN1; SMN2
SCHEMBL3802606 0.84 MRGPRX1 (0.49) MKNK2MRGPRX1RAB9AHTTSMN1; SMN2
SCHEMBL3797440 0.84 HTT (0.54) MKNK2MKNK1MRGPRX1RAB9AHTT
SCHEMBL3804143 0.84 HTT (0.45) MKNK2MRGPRX1RAB9AHTTSMN1; SMN2
SCHEMBL3805735 0.83 MKNK2 (0.61) MKNK2MKNK1MRGPRX1HTTSMN1; SMN2
SCHEMBL3802155 0.83 HTT (0.44) MKNK2MRGPRX1RAB9AHTTSMN1; SMN2
SCHEMBL3794267 0.82 MKNK2 (0.56) MKNK2MKNK1LMNAGAA
SCHEMBL3805579 0.82 MAPT (0.53) MKNK2MRGPRX1RAB9AHTTSMN1; SMN2

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-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 MKNK2 21/4885MKNK1 74/4885MRGPRX1 3108/4885

“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.