SCHEMBL7055499

SCHEMBL7055499

Cc1ccc(Nc2cncc3sc(C(N)=O)c(C)c23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K8 P41279 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 4/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
MKNK2 Q9HBH9 2/20 0.38
MKNK1 Q9BUB5 1/20 0.38
ICAM1 P05362 2/20 0.38
SELE P16581 2/20 0.38
VCAM1 P19320 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
NPC1 O15118 2/20 0.38
AHR P35869 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
GSK3B P49841 2/20 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
SCHEMBL5550269 0.90 MAP3K8 (0.42) MAP3K8MAPTTP53MKNK2MKNK1
SCHEMBL5550746 0.79 GPR35 (0.43) MAP3K8MAPTLMNAMKNK2MKNK1
SCHEMBL5550510 0.77 ALDH1A1 (0.46) MAP3K8SMN1; SMN2RAB9AMAPTLMNA
SCHEMBL7057425 0.73 ICAM1 (0.48) LMNAMKNK2ICAM1SELEVCAM1
SCHEMBL21500667 0.70 PIM1 (0.53) MAP3K8RAB9AMAPTLMNAMKNK2
SCHEMBL7050817 0.67 MAP3K8 (0.59) MAP3K8ICAM1SELEVCAM1MEN1
SCHEMBL7857515 0.67 ALDH1A1 (0.41) SMN1; SMN2RAB9AMAPTLMNAMKNK2
SCHEMBL5078983 0.66 SIRT3 (0.54) SMN1; SMN2RAB9AMAPTLMNANPC1
SCHEMBL7053701 0.66 ICAM1 (0.58) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7052567 0.66 CDK8 (0.58) ICAM1SELEVCAM1CCNCCDK8

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030220365-A1 Cell adhesion-inhibiting antiinflammatory compounds STEWART ANDREW O (US) 2003-11-27 US disclosed
US-6579882-B2 Thieno(2,3-d)pyrimidine derivatives ABBOTT LABORATORIES 2003-06-17 US disclosed
EP-1181296-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 2002-02-27 EP disclosed
US-20010020030-A1 Cell adhesion-inhibiting antiinflammatory compounds ABBVIE INC. 2001-09-06 US disclosed
US-6232320-B1 THIENO(2,3-C)PYRIDINE AND 5H-THIENO(2,3-C)PYRAN DERIATIVES ABBOTT LABORATORIES 2001-05-15 US disclosed
EP-1090009-A2 CELL ADHESION-INHIBITING ANTINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 2001-04-11 EP disclosed
WO-2000075145-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 2000-12-14 WO disclosed
WO-1999062908-A2 CELL ADHESION-INHIBITING ANTINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 1999-12-09 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-20010020030-A1 Cell adhesion-inhibiting antiinflammatory compounds ICAM1, VCAM1, EPCAM MAP3K8 2303/4885SMN1; SMN2 3305/4885RAB9A 1542/4885
US-20030220365-A1 Cell adhesion-inhibiting antiinflammatory compounds ICAM1, VCAM1, EPCAM MAP3K8 2303/4885SMN1; SMN2 3305/4885RAB9A 1542/4885

“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.