SCHEMBL3799987

SCHEMBL3799987

Cc1csc2ncnc(Nc3ccccc3OC(C)C)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIP4K2C Q8TBX8 1/20 0.47
MRGPRX1 Q96LB2 1/20 0.47
MKNK2 Q9HBH9 12/20 0.47
MKNK1 Q9BUB5 7/20 0.47
RAB9A P51151 2/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 2/20 0.43
DYRK3 O43781 1/20 0.42
MAP4K4 O95819 1/20 0.42
EGFR P00533 1/20 0.42
PIM1 P11309 1/20 0.42
CLK2 P49760 1/20 0.42
IRAK1 P51617 1/20 0.42
CSNK2A1 P68400 1/20 0.42
MAP4K2 Q12851 1/20 0.42
DYRK1A Q13627 1/20 0.42
PIM3 Q86V86 1/20 0.42
HIPK4 Q8NE63 1/20 0.42
AURKB Q96GD4 1/20 0.42

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
SCHEMBL3802591 0.91 PIP4K2C (0.46) PIP4K2CMRGPRX1MKNK2MKNK1RAB9A
SCHEMBL3804655 0.89 MRGPRX1 (0.49) PIP4K2CMRGPRX1MKNK2MKNK1RAB9A
SCHEMBL3803617 0.89 RAB9A (0.45) PIP4K2CMRGPRX1MKNK2MKNK1RAB9A
SCHEMBL3801090 0.87 RAB9A (0.43) PIP4K2CMRGPRX1MKNK2MKNK1RAB9A
SCHEMBL3805579 0.86 MAPT (0.53) PIP4K2CMRGPRX1MKNK2RAB9AHTT
SCHEMBL3803037 0.86 MKNK2 (0.63) MKNK2MKNK1EIF4E
SCHEMBL3796872 0.86 RAB9A (0.47) PIP4K2CMRGPRX1MKNK2RAB9AHTT
SCHEMBL3800285 0.85 MKNK2 (0.46) MKNK2MKNK1HTTSMN1; SMN2MAPT
SCHEMBL3797440 0.84 HTT (0.54) PIP4K2CMRGPRX1MKNK2MKNK1RAB9A
SCHEMBL3803046 0.84 MRGPRX1 (0.52) MRGPRX1MKNK2MKNK1MAPTDYRK3

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 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.