SCHEMBL4501234

SCHEMBL4501234

CC(C)(C)c1ccc(-c2cc3c(=O)[nH]cc(C#N)c3s2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 13/20 0.51
CDK2 P24941 9/20 0.51
PTP4A3 O75365 1/20 0.45
PTP4A2 Q12974 1/20 0.45
PTP4A1 Q93096 1/20 0.45
JAK2 O60674 2/20 0.39
JAK1 P23458 2/20 0.39
TYK2 P29597 2/20 0.39
JAK3 P52333 2/20 0.39
MCL1 Q07820 3/20 0.37
KIF11 P52732 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
SCHEMBL4506115 0.73 JAK2 (0.43) JAK2JAK1TYK2JAK3KIF11
SCHEMBL13606460 0.73 GSK3B (0.41) GSK3BCDK2PTP4A3PTP4A2PTP4A1
SCHEMBL3088202 0.70 GSK3B (0.41) GSK3BCDK2PTP4A3PTP4A2PTP4A1
SCHEMBL4351095 0.70 GSK3B (0.41) GSK3BCDK2PTP4A3PTP4A2PTP4A1
SCHEMBL16418590 0.69 MCL1 (0.49) MCL1
SCHEMBL15123780 0.66 PRKDC (0.60) JAK2JAK1TYK2JAK3KIF11
SCHEMBL4902650 0.65 MCL1 (0.46) GSK3BCDK2PTP4A3PTP4A2PTP4A1
SCHEMBL3069636 0.64 DPYD (0.42) GSK3BCDK2MCL1
SCHEMBL6602865 0.63 IMPDH2 (0.51) KIF11
SCHEMBL8957516 0.63 IMPDH2 (0.51) KIF11

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-7635695-B2 Antiinflammation agents AMGEN INC. (US) 2009-12-22 US disclosed
US-7635695-B2 Antiinflammation agents AMGEN INC. (US) 2009-12-22 US disclosed
US-7635695-B2 Antiinflammation agents AMGEN INC. (US) 2009-12-22 US disclosed
US-20070155777-A1 Antiinflammation agents AMGEN, INC. 2007-07-05 US disclosed
US-20070155777-A1 Antiinflammation agents AMGEN, INC. 2007-07-05 US disclosed
US-20070155777-A1 Antiinflammation agents AMGEN, INC. 2007-07-05 US disclosed
US-7199119-B2 Antiinflammation agents AMGEN INC. (US) 2007-04-03 US disclosed
US-20040097485-A1 Antiinflammation agents TULARIK INC. 2004-05-20 US 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-20070155777-A1 Antiinflammation agents TNF, NFATC1, NFKBIA GSK3B 1989/4885CDK2 111/4885PTP4A3 3920/4885
US-20040097485-A1 Antiinflammation agents TNF, NFATC1, NFKBIA GSK3B 1989/4885CDK2 111/4885PTP4A3 3920/4885

“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.