SCHEMBL4980052

SCHEMBL4980052

Cc1cnc2c(Cl)nc3cc4ccccc4cc3n12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 11/20 0.67
CHUK O15111 9/20 0.67
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 1/20 0.44
TYMS P04818 1/20 0.40
ERN1 O75460 1/20 0.39
RPS6KA4 O75676 1/20 0.39
PRKD3 O94806 1/20 0.39
CDK1 P06493 1/20 0.39
KIT P10721 1/20 0.39
CDK11B P21127 1/20 0.39
CDK2 P24941 1/20 0.39
TYK2 P29597 1/20 0.39
CSNK1D P48730 1/20 0.39
CDK7 P50613 1/20 0.39
CDK9 P50750 1/20 0.39
LIMK1 P53667 1/20 0.39
CDK16 Q00536 1/20 0.39
MAPK7 Q13164 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
SCHEMBL8103418 0.83 IKBKB (0.46) IKBKBCHUKKDM4EALDH1A1LMNA
SCHEMBL8117461 0.83 TYMS (0.57) IKBKBCHUKKDM4EALDH1A1LMNA
SCHEMBL4981355 0.81 IKBKB (0.66) IKBKBCHUKKDM4EALDH1A1TYMS
SCHEMBL8118931 0.81 CUL4A (0.52) IKBKBCHUKERN1RPS6KA4PRKD3
SCHEMBL5748334 0.80 IKBKB (1.00) IKBKBCHUKERN1RPS6KA4PRKD3
SCHEMBL4984117 0.74 IKBKB (1.00) IKBKBCHUKERN1RPS6KA4PRKD3
SCHEMBL5137193 0.74 IKBKB (1.00) IKBKBCHUKERN1RPS6KA4PRKD3
Hydrochloric Acid SCHEMBL5749193 0.73 IKBKB (1.00) IKBKBCHUKERN1RPS6KA4PRKD3
SCHEMBL8295232 0.72 IKBKB (0.76) IKBKBCHUKERN1RPS6KA4PRKD3
SCHEMBL14431725 0.70 IKBKB (0.74) IKBKBCHUK

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
EP-1363993-A4 METHODS OF TREATING INFLAMMATORY AND IMMUNE DISEASES USING INHIBITORS OF I$g(k)B KINASE (IKK) BRISTOL MYERS SQUIBB CO (US) 2008-11-12 EP disclosed
EP-1325009-B1 AMINO-SUBSTITUTED TETRACYCLIC COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL MYERS SQUIBB CO (US) 2006-03-08 EP disclosed
US-6960585-B2 Amino-substituted tetracyclic compounds useful as anti-inflammatory agents and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-01 US disclosed
US-6869956-B2 Methods of treating inflammatory and immune diseases using inhibitors of IκB kinase (IKK) BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-22 US disclosed
EP-1363993-A2 METHODS OF TREATING INFLAMMATORY AND IMMUNE DISEASES USING INHIBITORS OF I$g(k)B KINASE (IKK) Bristol-Myers Squibb Company (US) 2003-11-26 EP disclosed
EP-1325009-A2 AMINO-SUBSTITUTED TETRACYCLIC COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME Bristol-Myers Squibb Company (US) 2003-07-09 EP disclosed
US-20030022898-A1 Methods of treating inflammatory and immune diseases using inhibitors of IkappaB kinase (IKK) BRISTOL-MYERS SQUIBB COMPANY 2003-01-30 US disclosed
WO-2002060386-A2 METHODS OF TREATING INFLAMMATORY AND IMMUNE DISEASES USING INHIBITORS OF IλB KINASE (IKK) BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-08 WO disclosed
US-20020072523-A1 Amino-substituted tetracyclic compounds useful as anti-inflammatory agents and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY 2002-06-13 US disclosed
WO-2002028860-A2 AMINO-SUBSTITUTED TETRACYCLIC COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL-MYERS SQUIBB COMPANY (US) 2002-04-11 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-20020072523-A1 Amino-substituted tetracyclic compounds useful as anti-inflammatory agents and pharmaceutical compositions comprising same IL4, IL4I1, MSR1 IKBKB 147/4885CHUK 112/4885KDM4E 595/4885
US-20030022898-A1 Methods of treating inflammatory and immune diseases using inhibitors of IkappaB kinase (IKK) NFKBIA, IKBKG, IKBKB IKBKB 3/4885CHUK 6/4885KDM4E 327/4885

“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.