SCHEMBL7053673

SCHEMBL7053673

Clc1ccc(Oc2cncc3ccsc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 12/20 0.46
PIM1 P11309 2/20 0.46
MAP4K2 Q12851 2/20 0.46
MAP2K2 P36507 1/20 0.46
CCNC P24863 11/20 0.42
ICAM1 P05362 4/20 0.41
SELE P16581 4/20 0.41
VCAM1 P19320 3/20 0.41
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 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
SCHEMBL7053754 0.75 CDK8 (0.59) CDK8PIM1MAP4K2MAP2K2CCNC
SCHEMBL7053321 0.71 CDK8 (0.66) CDK8PIM1MAP4K2MAP2K2CCNC
SCHEMBL7056134 0.70 ICAM1 (0.67) CDK8PIM1MAP4K2CCNCICAM1
SCHEMBL7056138 0.68 CDK8 (0.55) CDK8PIM1MAP4K2MAP2K2CCNC
SCHEMBL28949857 0.68 KDM4E (0.39) KDM4EALDH1A1CYP1A2MAPTCYP2C9
SCHEMBL11545424 0.67 PTGS1 (0.56) CDK8PIM1MAP4K2MAP2K2CCNC
SCHEMBL7053652 0.67 CDK8 (0.50) CDK8PIM1MAP4K2MAP2K2CCNC
SCHEMBL10661610 0.66 KDM4E (0.42) KDM4EMEN1ALDH1A1CYP1A2CYP2D6
SCHEMBL26985043 0.65 PTGS1 (0.47) CDK8PIM1MAP4K2MAP2K2CCNC
SCHEMBL26984921 0.65 PTGS1 (0.47) CDK8PIM1MAP4K2MAP2K2CCNC

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 CDK8 2986/4885PIM1 2261/4885MAP4K2 2312/4885
US-20030220365-A1 Cell adhesion-inhibiting antiinflammatory compounds ICAM1, VCAM1, EPCAM CDK8 2986/4885PIM1 2261/4885MAP4K2 2312/4885

“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.