SCHEMBL3801079

SCHEMBL3801079

Cc1csc2ncnc(Nc3ccccc3OC3CCN(C(=O)C4CCCC4)C3)c12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 4/20 0.42
PIK3CD O00329 8/20 0.41
PIK3CA P42336 4/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NOD2 Q9HC29 1/20 0.40
CDK2 P24941 2/20 0.39
FLT3 P36888 2/20 0.39
CCNA1 P78396 2/20 0.39
KMT2A Q03164 1/20 0.39
PIK3R1 P27986 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
EGFR P00533 2/20 0.38
NAMPT P43490 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37

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
SCHEMBL3799186 0.97 PIK3CD (0.41) ERBB2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3795373 0.90 EGFR (0.42) ERBB2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3795890 0.88 LMNA (0.43) ERBB2PIK3CDLMNARAB9ARXFP1
SCHEMBL3802291 0.88 PIK3CD (0.41) ERBB2PIK3CDPIK3CALMNARAB9A
SCHEMBL3805713 0.86 PIK3CD (0.40) ERBB2PIK3CDPIK3CALMNARAB9A
SCHEMBL3801039 0.86 MKNK1 (0.45) PIK3CDPIK3CAPIK3CBPIK3CGMKNK1
SCHEMBL3800566 0.85 PIK3CD (0.45) PIK3CDPIK3CAPIK3CBPIK3CGLMNA
SCHEMBL3799478 0.83 LMNA (0.45) LMNARAB9ARXFP1NOD2MKNK1
SCHEMBL3803590 0.82 LMNA (0.45) LMNARAB9ARXFP1NOD2MKNK1
SCHEMBL3803043 0.81 PIP4K2C (0.46) LMNARAB9ARXFP1NOD2MKNK1

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 6 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-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-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 ERBB2 575/4885PIK3CD 378/4885PIK3CA 196/4885

“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.