SCHEMBL5004845

SCHEMBL5004845

c1cnc2c(c1)ccc1c2ccc2scnc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.50
CCR8 P51685 5/20 0.50
LMNA P02545 3/20 0.50
CCR5 P51681 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.50
MMP2 P08253 2/20 0.50
TSHR P16473 2/20 0.50
GMNN O75496 1/20 0.50
TP53 P04637 1/20 0.50
HSP90AA1 P07900 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
MMP9 P14780 1/20 0.50
ALOX15 P16050 1/20 0.50
NFKB1 P19838 1/20 0.50
MMP8 P22894 1/20 0.50
THPO P40225 1/20 0.50
MTOR P42345 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL10690151 0.87 LMNA (0.61) CCR1CCR8LMNACCR5KDM4E
SCHEMBL1246514 0.81 CCR1 (0.75) CCR1CCR8LMNACCR5KDM4E
SCHEMBL984030 0.81 HPRT1 (0.50) LMNAMAPTTSHRTP53CYP3A4
SCHEMBL29684194 0.81 HPRT1 (0.50) LMNAMAPTTSHRTP53CYP3A4
SCHEMBL272930 0.78 ALDH1A1 (0.42) LMNAKDM4EMAPTTSHRTP53
Bromide SCHEMBL29723865 0.77 ALDH1A1 (0.41) LMNAKDM4EMAPTTSHRTP53
SCHEMBL27740774 0.77 ALDH1A1 (0.41) LMNAKDM4EMAPTTSHRTP53
Water SCHEMBL27715056 0.77 ALDH1A1 (0.41) LMNAKDM4EMAPTTSHRTP53
SCHEMBL7072262 0.75 MAPT (0.54) LMNAKDM4EMAPTTSHRHSP90AA1
SCHEMBL58137 0.75 LMNA (0.54) CCR1CCR8LMNACCR5KDM4E

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 CCR1 10/4885CCR8 63/4885LMNA 4706/4885
US-20030022898-A1 Methods of treating inflammatory and immune diseases using inhibitors of IkappaB kinase (IKK) NFKBIA, IKBKG, IKBKB CCR1 783/4885CCR8 1322/4885LMNA 2658/4885

“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.