SCHEMBL4992901

SCHEMBL4992901

c1cnc2c(c1)ccc1c2ccc2[nH]cnc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
POLB P06746 1/20 0.58
MAPT P10636 3/20 0.52
CCR1 P32246 3/20 0.52
CCR5 P51681 3/20 0.52
CCR8 P51685 3/20 0.52
HTT P42858 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 2/20 0.52
MMP2 P08253 2/20 0.52
TSHR P16473 2/20 0.52
GMNN O75496 1/20 0.52
TP53 P04637 1/20 0.52
HSP90AA1 P07900 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
MMP9 P14780 1/20 0.52
ALOX15 P16050 1/20 0.52

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
SCHEMBL9374144 0.87 LMNA (0.64) LMNAMEN1KMT2APOLBMAPT
SCHEMBL1246514 0.82 CCR1 (0.75) LMNAMAPTCCR1CCR5CCR8
SCHEMBL645551 0.82 LMNA (0.58) LMNAMEN1KMT2APOLBMAPT
SCHEMBL29359863 0.82 LMNA (0.58) LMNAMEN1KMT2APOLBMAPT
SCHEMBL518877 0.82 LMNA (0.45) LMNAMEN1KMT2APOLBMAPT
SCHEMBL10787406 0.81 LMNA (0.43) LMNAMEN1KMT2APOLBMAPT
SCHEMBL29035730 0.81 LMNA (0.57) LMNAMEN1KMT2APOLBMAPT
SCHEMBL28063645 0.81 LMNA (0.57) LMNAMEN1KMT2APOLBMAPT
Benzene SCHEMBL28650339 0.81 LMNA (0.57) LMNAMEN1KMT2APOLBMAPT
SCHEMBL51008 0.79 LMNA (0.61) LMNAMEN1KMT2APOLBMAPT

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 LMNA 4706/4885MEN1 4334/4885KMT2A 2115/4885
US-20030022898-A1 Methods of treating inflammatory and immune diseases using inhibitors of IkappaB kinase (IKK) NFKBIA, IKBKG, IKBKB LMNA 2658/4885MEN1 4123/4885KMT2A 616/4885

“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.